ChemSpider 2D Image | (3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl {(1s,2r)-3-[(1,3-Benzothiazol-6-Ylsulfonyl)(2-Ethylbutyl)amino]-1-Benzyl-2-Hydroxypropyl}carbamate | C30H39N3O7S2

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

  • Molecular FormulaC30H39N3O7S2
  • Average mass617.777 Da
  • Monoisotopic mass617.222961 Da
  • ChemSpider ID26326042

  • defined stereocentres - 5 of 5 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-Benzothiazol-6-Ylsulfonyl)(2-Ethylbutyl)amino]-1-Benzyl-2-Hydroxypropyl}carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)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-benzothiazol-6-ylsulfonyl)(2-ethylbutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-4-[(1,3-Benzothiazol-6-ylsulfonyl)(2-éthylbutyl)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-[(6-benzothiazolylsulfonyl)(2-ethylbutyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
A61

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: 1.637
Molar Refractivity: 162.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1791.07
ACD/KOC (pH 5.5): 7416.08
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1790.82
ACD/KOC (pH 7.4): 7415.08
Polar Surface Area: 164 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 453.3±5.0 cm3

Click to predict properties on the Chemicalize site


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