ChemSpider 2D Image | 2-Methyl-2-propanyl {(2S,3R)-4-[(1,3-benzodioxol-4-ylsulfonyl)(3-methyl-6-oxohexyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate | C29H40N2O8S

2-Methyl-2-propanyl {(2S,3R)-4-[(1,3-benzodioxol-4-ylsulfonyl)(3-methyl-6-oxohexyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate

  • Molecular FormulaC29H40N2O8S
  • Average mass576.701 Da
  • Monoisotopic mass576.250549 Da
  • ChemSpider ID421519

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

{(2S,3R)-4-[(1,3-Benzodioxol-4-ylsulfonyl)(3-méthyl-6-oxohexyl)amino]-3-hydroxy-1-phényl-2-butanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S,3R)-4-[(1,3-benzodioxol-4-ylsulfonyl)(3-methyl-6-oxohexyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S,3R)-4-[(1,3-benzodioxol-4-ylsulfonyl)(3-methyl-6-oxohexyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(1,3-benzodioxol-4-ylsulfonyl)(3-methyl-6-oxohexyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
[(2R,3S)-3-tert-Butoxycarbonylamino-2-hydroxy-4-phenyl-(3,7-dimethylheptylcarboxaldehyde [(Benxo [1,3] dioxole-5-sulfonyl] butylamine

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

AIDS095536 [DBID]
AIDS-095536 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.564
Molar Refractivity: 151.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1921.72
ACD/KOC (pH 5.5): 7799.42
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1921.65
ACD/KOC (pH 7.4): 7799.12
Polar Surface Area: 140 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 466.2±3.0 cm3

Click to predict properties on the Chemicalize site


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