ChemSpider 2D Image | (3R,3aS,4S,7aS)-3-Hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate | C29H40N2O9S

(3R,3aS,4S,7aS)-3-Hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC29H40N2O9S
  • Average mass592.701 Da
  • Monoisotopic mass592.245422 Da
  • ChemSpider ID34556274

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3r,3as,4s,7as)-3-Hydroxyhexahydro-4h-Furo[2,3-B]pyran-4-Yl [(2s,3r)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}-1-Phenylbutan-2-Yl]carbamate
(3R,3aS,4S,7aS)-3-Hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,4S,7aS)-3-Hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yl-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{isobutyl[(4-méthoxyphényl)sulfonyl]amino}-1-phényl-2-butanyl]carbamate de (3R,3aS,4S,7aS)-3-hydroxyhexahydro-4H-furo[2,3-b]pyran-4-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3R,3aS,4S,7aS)-hexahydro-3-hydroxy-4H-furo[2,3-b]pyran-4-yl ester [ACD/Index Name]
52W

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: 1.608
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 352.19
ACD/KOC (pH 5.5): 2315.19
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 352.15
ACD/KOC (pH 7.4): 2314.95
Polar Surface Area: 152 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 440.9±5.0 cm3

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