![C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI) Featured Image](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid.jpg)
C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (ACI)
| Lintho Tsa Bohlokoa Tsa 'Mele | Boleng | Boemo |
| Boima ba Molek'hule | 631.80 | - |
| Sebaka se belang (Se boletsoeng esale pele) | 779.4±60.0 °C | Tobetsa: 760 Torr |
| Boima (bo boletsoeng esale pele) | 1.154±0.06 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr |
| pKa (E boletsoeng esale pele) | 4.78±0.10 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C |
Canonical SMILES O=C(O)CCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C= C4
Isomeric SMILES C(OC[C@H]1N(C(CCCCCCCCCCC(O)=O)=O)C[C@H](O)C1)(C2=CC=C(OC)C=C2)(C3 =CC=C(OC)C=C3)C4=CC=CC=C4
InChi
InChI=1S/C38H49NO7/c1-44-34-22-18-30(19-23-34)38(29-14-10-9-11-15-29,31-20-24-35(45- 2)25-21-31)46-28-32-26-33(40)27-39(32) 36(41)16-12-7-5-3-4-6-8-13-17- 37(42)43/h9-11,14-15,18-25,32-33,40H,3-8,12-13,16-17,26-28H2,1-2H3,(H,42,43) )/t32-,33+/m0/s1
Senotlolo sa InChi
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Lebitso le Leng la Ntho ena
(2S,4R) -2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic acid (ACI)
| Thepa e teng |
| Likokoana-hloko |
| Lik'hemik'hale |
| Botenya |
| Lipinski |
| Sebopeho se Amanang |
| Mocheso |
Likokoana-hloko
| Thepa | Boleng | Boemo | Mohloli |
| Bioconcentration Factor | 2.46 x 105 | pH 1; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.46 x 105 | pH 2; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.42 x 105 | pH 3; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 2.11 x 105 | pH 4; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 92400 | pH 5; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 14000 | pH 6; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 1510 | pH 7; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 192 | pH 8; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 58.6 | pH 9; Mocheso: 25 °C | (1) ACD |
| Bioconcentration Factor | 45.3 | 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 | 2.52 x 105 | pH 1; Mocheso: 25 °C | (1) ACD |
| Koc | 2.51 x 105 | pH 2; Mocheso: 25 °C | (1) ACD |
| Koc | 2.47 x 105 | pH 3; Mocheso: 25 °C | (1) ACD |
| Koc | 2.16 x 105 | pH 4; Mocheso: 25 °C | (1) ACD |
| Koc | 94500 | pH 5; Mocheso: 25 °C | (1) ACD |
| Koc | 14300 | pH 6; Mocheso: 25 °C | (1) ACD |
| Koc | 1550 | pH 7; Mocheso: 25 °C | (1) ACD |
| Koc | 196 | pH 8; Mocheso: 25 °C | (1) ACD |
| Koc | 59.9 | pH 9; Mocheso: 25 °C | (1) ACD |
| Koc | 46.3 | pH 10; Mocheso: 25 °C | (1) ACD |
| logD | 7.40 | pH 1; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| logD | 7.40 | pH 2; Mocheso: 25 °C | (1) ACD |
| logD | 7.39 | pH 3; Mocheso: 25 °C | (1) ACD |
| logD | 7.33 | pH 4; Mocheso: 25 °C | (1) ACD |
| logD | 6.97 | pH 5; Mocheso: 25 °C | (1) ACD |
| logD | 6.15 | pH 6; Mocheso: 25 °C | (1) ACD |
| logD | 5.19 | pH 7; Mocheso: 25 °C | (1) ACD |
| logD | 4.29 | pH 8; Mocheso: 25 °C | (1) ACD |
| logD | 3.77 | pH 9; Mocheso: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Mocheso: 25 °C | (1) ACD |
| logP | 7.397±0.598 | Mocheso: 25 °C | (1) ACD |
| Mass Intrinsic Sollubility | 1.3 x 10-4 g/L | Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1.3 x 10-4 g/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1.3 x 10-4 g/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1.3 x 10-4 g/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1.5 x 10-4 g/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 3.5 x 10-4 g/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 2.3 x 10-3 g/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.021 g/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.17 g/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.55 g/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 0.69 g/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Ho qhibiliha ka bongata | 1.3 x 10-3 g/L | Metsi a sa tsitsang pH 5.73; Mocheso: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 2.1 x 10-7 mol/L | Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.1 x 10-7 mol/L | pH 1; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.1 x 10-7 mol/L | pH 2; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.1 x 10-7 mol/L | pH 3; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.4 x 10-7 mol/L | pH 4; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 5.5 x 10-7 mol/L | pH 5; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 3.6 x 10-6 mol/L | pH 6; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 3.4 x 10-5 mol/L | pH 7; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.7 x 10-4 mol/L | pH 8; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 8.7 x 10-4 mol/L | pH 9; Mocheso: 25 °C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Molar Solubility | 1.1 x 10-3 mol/L | pH 10; Mocheso: 25 °C | (1) ACD |
| Molar Solubility | 2.1 x 10-6 mol/L | Metsi a sa tsitsang pH 5.73; Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 631.80 | ||
| pKa | 4.78±0.10 | Mocheso o nang le Asiti ka ho Fetisisa: 25 °C | (1) ACD |
| pKa | -2,31±0,60 | Mocheso ka ho Fetisisa oa Motheo: 25 °C | (1) ACD |
| Khatello ea Mouoane | 1.42 x 10-25 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 | 1.154±0.06 g/cm3 | Mocheso: 20 °C; Tobetsa: 760 Torr | (1) ACD |
| Molumo oa Molar | 547.3±3.0 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 | 20 | (1) ACD | |
| H Ba amohelang | 8 | (1) ACD | |
| H Bafani | 2 | (1) ACD | |
| H Kakaretso ea Mofani/Moamoheli | 10 | (1) ACD | |
| logP | 7.397±0.598 | Mocheso: 25 °C | (1) ACD |
| Boima ba Molek'hule | 631.80 |
(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 | 106 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 | 779.4±60.0 °C | Tobetsa: 760 Torr | (1) ACD |
| Enthalpy ea vaporization | 118.97±3.0 kJ/mol | Tobetsa: 760 Torr | (1) ACD |
| Flash point | 425.2±32.9 °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
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![L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
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![C47H60N7O10P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2- methoxyethyl)-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N ,N-bis (1-methylethyl)phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C47H60N7O10P-Guanosine-300x300.png)