![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Feature Setšoantšo](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
| Boima ba Molek'hule | 528.55 | - |
| Melting Point (Teko) | 129.5-130 °C | - |
| Sebaka se belang (Se boletsoeng esale pele) | 688.2±65.0 °C | Tobetsa: 760 Torr |
| Boima (bo boletsoeng esale pele) | 1.35±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
| pKa (E boletsoeng esale pele) | 12.51±0,40 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Lipososo tsa Canonical O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric SMILES C(OC[C@H]1O[C@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7- 19,21-10-14-23(36-2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17,24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
Senotlolo sa InChi
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Mabitso a Mang a Ntho ena
(2R,3R,3aS,9aR) -2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5]oxazolo[3,2-a] pyrimidin-6-one (ACI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a -
tetrahydro-3-hydroxy-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)
| Thepa e teng |
| Mocheso |
Mocheso
| Thepa | Boleng | Boemo | Mohloli |
| Melting Point | 129.5-130 °C | (1) CAS | |
(1) Szlenkier, Maurycy; Nucleosides, Nucleotides & Nucleic Acids, (2016), 35(8), 410-425, CAplus
| Spectra e fumaneha |
| 1H NMR |
| 13C NMR |
| IR |
| Mmisa |
Thepa e boletsoeng esale pele
| Thepa e teng |
| Likokoana-hloko |
| Lik'hemik'hale |
| Botenya |
| Lipinski |
| Sebopeho se Amanang |
| Mocheso |
Likokoana-hloko
| Thepa | Boleng | Boemo | Mohloli |
| Bioconcentration Factor | 1360 | pH 1; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 2; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 3; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 4; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 5; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 6; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 7; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Bioconcentration Factor | 1360 | pH 8; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 9; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1350 | pH 10; Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lik'hemik'hale
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 6080 | pH 1; Mocheso: 25 °C | (1) ACD |
| Koc | 6080 | pH 2; Mocheso: 25 °C | (1) ACD |
| Koc | 6080 | pH 3; Mocheso: 25 °C | (1) ACD |
| Koc | 6080 | pH 4; Mocheso: 25 °C | (1) ACD |
| Koc | 6080 | pH 5; Mocheso: 25 °C | (1) ACD |
| Koc | 6080 | pH 6; Mocheso: 25 °C | (1) ACD |
| Koc | 6080 | pH 7; Mocheso: 25 °C | (1) ACD |
| Koc | 6080 | pH 8; Mocheso: 25 °C | (1) ACD |
| Koc | 6070 | pH 9; Mocheso: 25 °C | (1) ACD |
| Koc | 6060 | pH 10; Mocheso: 25 °C | (1) ACD |
| logD | 4.42 | pH 1; Mocheso: 25 °C | (1) ACD |
| logD | 4.42 | pH 2; Mocheso: 25 °C | (1) ACD |
| logD | 4.42 | pH 3; Mocheso: 25 °C | (1) ACD |
| logD | 4.42 | pH 4; Mocheso: 25 °C | (1) ACD |
| logD | 4.42 | pH 5; Mocheso: 25 °C | (1) ACD |
| logD | 4.42 | pH 6; Mocheso: 25 °C | (1) ACD |
| logD | 4.42 | pH 7; Mocheso: 25 °C | (1) ACD |
| logD | 4.42 | pH 8; Mocheso: 25 °C | (1) ACD |
| logD | 4.42 | pH 9; Mocheso: 25 °C | (1) ACD |
| logD | 4.42 | pH 10; Mocheso: 25 °C | (1) ACD |
| logP | 4.424±0.618 | Mocheso: 25 °C | (1) ACD |
| Mass Intrinsic Sollubility | 5.8 x 10-4 g/L | Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 5.8 x 10-4 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 5.8 x 10-4 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 5.8 x 10-4 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 5.8 x 10-4 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 5.8 x 10-4 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Ho qhibiliha ka bongata | 5.8 x 10-4 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 5.8 x 10-4 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 5.8 x 10-4 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 5.8 x 10-4 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 5.8 x 10-4 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 5.8 x 10-4 g/L | Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.1 x 10-6 mol/L | Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-6 mol/L | Metsi a sa tsitsang pH 7.00; Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 528.55 | ||
| pKa | 12.51±0,40 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
| pKa | -4,70±0,60 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
| Khatello ea Mouoane | 6.91 x 10-20 Torr | Mocheso: 25 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Botenya
| Thepa | Boleng | Boemo | Mohloli |
| Botenya | 1.35±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
| Molumo oa Molar | 389.8±7.0 cm3/mol | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Thepa | Boleng | Boemo | Mohloli |
| Li-Bonds tse ka fetolehang ka bolokolohi | 9 | (1) ACD | |
| Thepa | Boleng | Boemo | Mohloli |
| H Ba amohelang | 9 | (1) ACD | |
| H Bafani | 1 | (1) ACD | |
| H Kakaretso ea Mofani/Moamoheli | 10 | (1) ACD | |
| logP | 4.424±0.618 | Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 528.55 |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Sebopeho se Amanang
| Thepa | Boleng | Boemo | Mohloli |
| Sebaka sa Polar Surface | 99.1 A2 | (1) ACD | |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Mocheso
| Thepa | Boleng | Boemo | Mohloli |
| Ntlha e belang | 688.2±65.0 °C | Tobetsa: 760 Torr | (1) ACD |
| Enthalpy ea vaporization | 105.96±3.0 kJ/mol | Tobetsa: 760 Torr | (1) ACD |
| Flash point | 370.0±34.3 °C | (1) ACD |
(1) E baloang ho sebelisoa Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra e fumaneha
1H NMR
13C NMR
![C36H39N5O8 Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- N-(2-methyl-1-oxopropyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine-300x300.jpg)
![C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine-300x300.jpg)
![C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-methyl ethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C44H53FN7O8-300x300.png)
![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)
![C34H39N3O8 Cytidine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methox yethyl)-5-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
![C48H54N7O8P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)