ChemSpider 2D Image | 1,3-Dioxan-5-yl [(2S,3R)-4-{(4-cyano-2,2-dimethylbutyl)[(4-hydroxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C28H37N3O8S

1,3-Dioxan-5-yl [(2S,3R)-4-{(4-cyano-2,2-dimethylbutyl)[(4-hydroxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC28H37N3O8S
  • Average mass575.674 Da
  • Monoisotopic mass575.230164 Da
  • ChemSpider ID421444

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(2S,3R)-4-{(4-Cyano-2,2-diméthylbutyl)[(4-hydroxyphényl)sulfonyl]amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de 1,3-dioxan-5-yle [French] [ACD/IUPAC Name]
1,3-Dioxan-5-yl [(2S,3R)-4-{(4-cyano-2,2-dimethylbutyl)[(4-hydroxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
1,3-Dioxan-5-yl-[(2S,3R)-4-{(4-cyan-2,2-dimethylbutyl)[(4-hydroxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(4-cyano-2,2-dimethylbutyl)[(4-hydroxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, 1,3-dioxan-5-yl ester [ACD/Index Name]
{(1S,2R)-1-Benzyl-3-[(4-cyano-2,2-dimethyl-butyl)-(4-hydroxybenzenesulfonyl)-amino]- 2-hydroxy-propyl}-carbamic acid [1,3]dioxan-5-yl ester

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS095458 [DBID]
AIDS-095458 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 271.27
ACD/KOC (pH 5.5): 1917.36
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 185.57
ACD/KOC (pH 7.4): 1311.67
Polar Surface Area: 167 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 429.1±5.0 cm3

Click to predict properties on the Chemicalize site


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