C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315
Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
Boima ba Molek'hule | 721.80 | - |
Melting Point (Teko) | 107-110 °C | - |
Boima (bo boletsoeng esale pele) | 1.26±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
pKa (E boletsoeng esale pele) | 8.60±0,40 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Lipososo tsa Canonical O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC=CC4)(C5=CC=C(OC)C=C5)C6 =CC=C(OC)C=C6)C(O)C3OCCOC)C
Isomeric SOSOA
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC =C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChi
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11-7-5-8-12-28)39-36(51- 24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22 ,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
Senotlolo sa InChi
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Mabitso a Mang a Ntho ena
N-Benzoyl-5'-O--[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)-5-methylcytidine (ACI); 10: PN: WO03084478 LEQEPHE: 57 e tseka RNA; 12: PN: US20030170636 LEQEPHE: 17 e tseka R NA; 13: PN: US20030212017 LEQEPHE: 19 e tseka R NA; 14: PN: US20030
211606 LEQEPHE: 19 e tseka R NA; 15: PN: US20040005569 LEQEPHE: 22 e tseka R NA; 16: PN: US20040006030 LEQEPHE: 22 e tseka R NA; 16: PN: US20040014048 LEQEPHE: 20 e tseka R NA; 17: PN: US20030171313 LEQEPHE: 9 e tseka R NA; 17: PN: US20040005565 LEQEPHE: 17- 22 e tseka RNA; 17: PN: US20040005570 LEQEPHE: 20 e tseka R NA; 17: PN: US20040014047 LEQEPHE: 20 e tseka R NA; 17: PN: US20040 014050 LEQEPHE: 20 e tseka R NA; 18: PN: US20030198965 LEQEPHE: 19 e tseka R NA; 18: PN: US20040014699 LEQEPHE: 20 e tseka R NA; 19: PN: US20040006029 LEQEPHE: 23 e tseka R NA; 19: PN: WO03106645 LEQEPHE: 71 e tseka R NA; 59: PN: US20030166592 LEQEPHE: 15 e tseka RNA; 6: PN: WO2005006958 LEQEPHE: 62 e tseka R NA; 83: PN: US20040171566 LEQEPHE: 18 e tseka R NA; 8: PN: WO2005007825
LEQEPHE: 62 e tseka R NA; 90: PN: US20040005707 LEQEPHE: 20 e tseka R NA; N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-
methylcytidine
Thepa e teng |
Mocheso |
Mocheso
Thepa | Boleng | Boemo | Mohloli |
Melting Point | 107-110 °C | (1) CAS |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
Spectra e fumaneha
1H NMR
13C NMR
Thepa e teng |
Likokoana-hloko |
Lik'hemik'hale |
Botenya |
Lipinski |
Sebopeho se Amanang |
Likokoana-hloko
Thepa | Boleng | Boemo | Mohloli |
Bioconcentration Factor | 291 | pH 1; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 644 | pH 2; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 3690 | pH 3; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 15600 | pH 4; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 23700 | pH 5; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 24800 | pH 6; Mocheso: 25 °C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Bioconcentration Factor | 23300 | pH 7; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 14100 | pH 8; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 3010 | pH 9; Mocheso: 25 °C | (1) ACD |
Bioconcentration Factor | 558 | 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 | 569 | pH 1; Mocheso: 25 °C | (1) ACD |
Koc | 1260 | pH 2; Mocheso: 25 °C | (1) ACD |
Koc | 7210 | pH 3; Mocheso: 25 °C | (1) ACD |
Koc | 30400 | pH 4; Mocheso: 25 °C | (1) ACD |
Koc | 46300 | pH 5; Mocheso: 25 °C | (1) ACD |
Koc | 48500 | pH 6; Mocheso: 25 °C | (1) ACD |
Koc | 45500 | pH 7; Mocheso: 25 °C | (1) ACD |
Koc | 27500 | pH 8; Mocheso: 25 °C | (1) ACD |
Koc | 5890 | pH 9; Mocheso: 25 °C | (1) ACD |
Koc | 1090 | pH 10; Mocheso: 25 °C | (1) ACD |
logD | 4.16 | pH 1; Mocheso: 25 °C | (1) ACD |
logD | 4.50 | pH 2; Mocheso: 25 °C | (1) ACD |
logD | 5.26 | pH 3; Mocheso: 25 °C | (1) ACD |
logD | 5.88 | pH 4; Mocheso: 25 °C | (1) ACD |
logD | 6.07 | pH 5; Mocheso: 25 °C | (1) ACD |
logD | 6.09 | pH 6; Mocheso: 25 °C | (1) ACD |
logD | 6.06 | pH 7; Mocheso: 25 °C | (1) ACD |
logD | 5.84 | pH 8; Mocheso: 25 °C | (1) ACD |
logD | 5.17 | pH 9; Mocheso: 25 °C | (1) ACD |
logD | 4.44 | pH 10; Mocheso: 25 °C | (1) ACD |
logP | 6.093±0.720 | Mocheso: 25 °C | (1) ACD |
Mass Intrinsic Sollubility | 1.3 x 10-4 g/L | Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 0.011 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 5.0 x 10-3 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 8.7 x 10-4 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.1 x 10-4 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Ho qhibiliha ka bongata | 1.4 x 10-4 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.3 x 10-4 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.4 x 10-4 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 2.3 x 10-4 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.1 x 10-3 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 5.8 x 10-3 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
Ho qhibiliha ka bongata | 1.4 x 10-4 g/L | Metsi a sa tsitsang pH 6.97; Mocheso: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 1.8 x 10-7 mol/L | Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.5 x 10-5 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 6.9 x 10-6 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.2 x 10-6 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 2.9 x 10-7 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.9 x 10-7 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.8 x 10-7 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.9 x 10-7 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 3.2 x 10-7 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.5 x 10-6 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 8.0 x 10-6 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
Molar Solubility | 1.9 x 10-7 mol/L | Metsi a sa tsitsang pH 6.97; Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 721.80 | ||
pKa | 8.60±0,40 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
pKa | 3.87±0,20 | Mocheso ka ho Fetisisa oa Motheo: 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 | 1.26±0.1 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
Molumo oa Molar | 572.5±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 | 15 | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
H Ba amohelang | 12 | (1) ACD | |
H Bafani | 2 | (1) ACD | |
H Kakaretso ea Mofani/Moamoheli | 14 | (1) ACD | |
logP | 6.093±0.720 | Mocheso: 25 °C | (1) ACD |
Boima ba Molek'hule | 721.80 |
(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 | 137 A2 | (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
Khoutu | Polelo ea Kotsi | Mohloli |
H335 | E ka baka ho teneha ha moea | European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngolisoa - litsebiso tse tloaelehileng haholo, Sehlopha sa European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngola - litsebiso tse tebileng ka ho fetisisa. |
H319 | E baka ho teneha ho hoholo ha mahlo | European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngolisoa - litsebiso tse tloaelehileng haholo, Sehlopha sa European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngola - litsebiso tse tebileng ka ho fetisisa. |
H315 | E baka ho halefa ha letlalo | European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngolisoa - litsebiso tse tloaelehileng haholo, Sehlopha sa European Chemical Agency (ECHA) Classification & Labelling Inventory - Sehlopha se tsebisitsoeng le ho ngola - litsebiso tse tebileng ka ho fetisisa. |