ChemSpider 2D Image | (3R,3aS,4R,6aR)-4-Hydroxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate | C28H38N2O9S

(3R,3aS,4R,6aR)-4-Hydroxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC28H38N2O9S
  • Average mass578.674 Da
  • Monoisotopic mass578.229797 Da
  • ChemSpider ID58990276

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3R,3aS,4R,6aR)-4-Hydroxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,4R,6aR)-4-Hydroxyhexahydrofuro[2,3-b]furan-3-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,4R,6aR)-4-hydroxyhexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3R,3aS,4R,6aR)-hexahydro-4-hydroxyfuro[2,3-b]furan-3-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 222.66
ACD/KOC (pH 5.5): 1667.42
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 222.63
ACD/KOC (pH 7.4): 1667.18
Polar Surface Area: 152 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 424.8±5.0 cm3

Click to predict properties on the Chemicalize site


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