![C20h31No5 Heptanoic acidum, 3- hydroxy-V-methyl, IV - [[(phenylmethoxy) carbonyl] amino] -, 1,1-Dimethylethyl, [3r- (3r *, 4 *, 5s *)] - (9ci) H301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20H31NO5 Heptanoic acid, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301 Featured Image](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20h31No5 Heptanoic acidum, 3- hydroxy-V-methyl, IV - [[(phenylmethoxy) carbonyl] amino] -, 1,1-Dimethylethyl, [3r- (3r *, 4 *, 5s *)] - (9ci) H301
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 365,46 | - |
| Ferveret (praedicta) | 504.1 ± 50.0 ° | Press: DCCLX Torr |
| Density (praedicta) | 1.091 ± 0.06 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 11.82 ± 0.46 | Most Acidic Temp: XXV ° C |
Canonical SMILES O=C(OCC=1C=CC=CC1)NC(C(O)CC(=O)OC(C)(C)C)C(C)CC
Isomeric [c @] ([C @@] (c (c (cc) (NC) = o) c = c.
INCHI
Inchi = 1s / c20h31No5 / C1-6-14 (II) XVIII (XVI (XXII) 12-17 (XXIII) 26-20 (3,4) V) 21-19 (XXIV) 25-13-114,10-7-22h, 6,12-13H2.10-5 H3 (H, 21,24) / T14-, XVI +, 18- / M0 / S1
Key Inchi
Aztsbawjrolriq, lescradosa, n
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
| Scelerum |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | DCXVI | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCXVII | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCXVII | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCXVII | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCXVII | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCXVII | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCXVII | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCXVII | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCXVI | PH IX; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | DCIV | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Proiectus
| Res | Valor | Conditio | Fons |
| Koc | MMMCDL | PH I; Temp: XXV ° C | (I) ACD |
| Koc | MMMCDLX | PH II; Temp: XXV ° C | (I) ACD |
| Koc | MMMCDLX | PH III; Temp: XXV ° C | (I) ACD |
| Koc | MMMCDLX | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | MMMCDLX | PH V; Temp: XXV ° C | (I) ACD |
| Koc | MMMCDLX | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | MMMCDLX | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | MMMCDLX | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | MMMCDL | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | MMMCCCXC | PH X; Temp: XXV ° C | (I) ACD |
| logd | 3.97 | PH I; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| logd | 3.97 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 3.97 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 3.97 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 3.97 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 3.97 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 3.97 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 3.97 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 3.97 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 3.96 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 3.974 ± 0.543 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 0.062 G / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.062 G / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.062 G / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.062 G / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.062 G / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.062 G / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.062 G / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.062 G / l | PH VII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.062 G / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.062 G / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.062 G / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 0.062 G / l | Unbuffered aqua PH 6.99; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 1.7 X 10-4 Mol / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 X 10-4 Mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 X 10-4 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 X 10-4 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 X 10-4 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 X 10-4 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 X 10-4 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 X 10-4 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 X 10-4 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 X 10-4 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Molaris solubility | 1.7 X 10-4 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.7 X 10-4 Mol / l | Unbuffered aqua PH 6.99; Temp: XXV ° C | (I) ACD |
| Pondus | 365,46 | ||
| PKA | 11.82 ± 0.46 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | -1.56 ± 0.70 | Maxime basic temp: XXV ° | (I) ACD |
| Vapor | 5.56 x 10-11 Torr | Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densitas
| Res | Valor | Conditio | Fons |
| Densitas | 1.091 ± 0.06 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 334,7 ± 3.0 cm3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 12 | (I) ACD | |
| H acceptors | 6 | (I) ACD | |
| H donos | 2 | (I) ACD | |
| H donator / Acceptor Sum | 8 | (I) ACD | |
| logp | 3.974 ± 0.543 | Temp: XXV ° C | (I) ACD |
| Pondus | 365,46 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | 84.9 A2 | (I) ACD | |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Scelerum
| Res | Valor | Conditio | Fons |
| PRAETERITUS | 504.1 ± 50.0 ° | Press: DCCLX Torr | (I) ACD |
| Enthalpy vaporation | 81.44 ± 3.0 KJ / mol | Press: DCCLX Torr | (I) ACD |
| Flash Point | 258,6 ± 30,1 ° F | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
1h NMR
13c NMR
| Codex | Aleam dicitur | Fons |
| H301 | Toxicus, si absorptus | Europae chemical Agency (ECA) Classification & Labeling Inventory - Notified Classification et Labeling - Most Clementine_Vulgate Vicimediorum Communium, European Chemical Agency (ECA) Classification & Labeling - Notified Classification and Labeling - Notifications Ordo - Most Suspendisse notifications - Most Suspendisse - Notifications |
Scribere nuntium hic mitte nobis
![C30h29fn2o7 uridine, 5'-o- [bis (IV-methoxyphen) phenylmethyl] -2' -Oxy-2'- fluoro- (9ci, aci)](https://cdn.globalso.com/nvchem/C30H29FN2O7-Uridine-300x300.jpg)
![C47H51FN7O7P Adenosine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C47H51FN7O7P-Adenosine-300x300.png)
![C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
![C33H39N5O6 L-Ornithinamide, N - [(9H-Fluoren-IX-ylmethoxy) Carbony] -L-VOLYL-N5- (Aminocarbonyl) -L- [4CI (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide-300x300.jpg)