ChemSpider 2D Image | (4aR,6r,7aS)-Hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate | C29H40N2O8S

(4aR,6r,7aS)-Hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC29H40N2O8S
  • Average mass576.701 Da
  • Monoisotopic mass576.251000 Da
  • ChemSpider ID25056887

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4ar,6r,7as)-Hexahydro-4ah-Cyclopenta[b][1,4]dioxin-6-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}propyl]carbamate
(4aR,6r,7aS)-Hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(4aR,6r,7aS)-Hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-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 (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (4aR,7aS)-hexahydro-5H-cyclopenta[b]-1,4-dioxin-6-yl ester [ACD/Index Name]
G05

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

Density: 1.3±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 150.9±0.0 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 874.76
ACD/KOC (pH 5.5): 4440.21
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 874.67
ACD/KOC (pH 7.4): 4439.77
Polar Surface Area: 132 Å2
Polarizability: 59.8±0.0 10-24cm3
Surface Tension: 58.2±0.0 dyne/cm
Molar Volume: 443.1±0.0 cm3

Click to predict properties on the Chemicalize site


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