ChemSpider 2D Image | (4aR,6R)-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)-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 mass576.250549 Da
  • ChemSpider ID34952220

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(4aR,6R)-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)-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)-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,6R)-hexahydro-5H-cyclopenta[b]-1,4-dioxin-6-yl ester [ACD/Index Name]
US8501961, 129

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: 1.597
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1816.39
ACD/KOC (pH 5.5): 7490.99
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1816.21
ACD/KOC (pH 7.4): 7490.26
Polar Surface Area: 132 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 443.1±5.0 cm3

Click to predict properties on the Chemicalize site


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