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Search term: RKOIHQGLQXEINT-RUVRZYSVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,3aS,4R,6aR)-4-[2-(Methylamino)-2-oxoethoxy]hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate | C31H43N3O10S

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

  • Molecular FormulaC31H43N3O10S
  • Average mass649.752 Da
  • Monoisotopic mass649.266907 Da
  • ChemSpider ID35034533

  • 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-[2-(Methylamino)-2-Oxoethoxy]hexahydrofuro[2,3-B]furan-3-Yl [(2s,3r)-3-Hydroxy-4-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}-1-Phenylbutan-2-Yl]carbamate
(3R,3aS,4R,6aR)-4-[2-(Methylamino)-2-oxoethoxy]hexahydrofuro[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-[2-(Methylamino)-2-oxoethoxy]hexahydrofuro[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-[2-(méthylamino)-2-oxoéthoxy]hexahydrofuro[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-[2-(methylamino)-2-oxoethoxy]furo[2,3-b]furan-3-yl ester [ACD/Index Name]
VXL

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: 1.598
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 181.65
ACD/KOC (pH 5.5): 1441.37
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 181.63
ACD/KOC (pH 7.4): 1441.17
Polar Surface Area: 170 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 485.8±5.0 cm3

Click to predict properties on the Chemicalize site


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