ChemSpider 2D Image | (3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-3-{(1,3-Benzodioxol-5-Ylsulfonyl)[(2s)-2-Methylbutyl]amino}-1-Benzyl-2-Hydroxypropyl]carbamate | C29H38N2O9S

(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-3-{(1,3-Benzodioxol-5-Ylsulfonyl)[(2s)-2-Methylbutyl]amino}-1-Benzyl-2-Hydroxypropyl]carbamate

  • Molecular FormulaC29H38N2O9S
  • Average mass590.685 Da
  • Monoisotopic mass590.229797 Da
  • ChemSpider ID26327057

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-3-{(1,3-Benzodioxol-5-Ylsulfonyl)[(2s)-2-Methylbutyl]amino}-1-Benzyl-2-Hydroxypropyl]carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-4-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-{(1,3-Benzodioxol-5-ylsulfonyl)[(2S)-2-méthylbutyl]amino}-3-hydroxy-1-phényl-2-butanyl]carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
K20

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: 1.618
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1593.01
ACD/KOC (pH 5.5): 6819.40
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1592.80
ACD/KOC (pH 7.4): 6818.48
Polar Surface Area: 141 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 429.7±5.0 cm3

Click to predict properties on the Chemicalize site


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