Found 3 results

Search term: MF = 'C_{31}H_{43}N_{3}O_{10}S'
ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(carbamoyloxy)-2,2-dimethylbutyl][(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate | C31H43N3O10S

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[4-(carbamoyloxy)-2,2-dimethylbutyl][(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC31H43N3O10S
  • Average mass649.752 Da
  • Monoisotopic mass649.266907 Da
  • ChemSpider ID421480

  • 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 [(2S,3R)-4-{[4-(carbamoyloxy)-2,2-dimethylbutyl][(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-4-{[4-(carbamoyloxy)-2,2-dimethylbutyl][(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-4-{[4-(Carbamoyloxy)-2,2-diméthylbutyl][(4-méthoxyphényl)sulfonyl]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-[[4-[(aminocarbonyl)oxy]-2,2-dimethylbutyl][(4-methoxyphenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
(3R,3aS,6aR or 3S,3aR,6aS)-Hexahydrofuro [2,3-b] furan-3-yl N-((1S,2R)-1-benzyl-3-(4-carbamonyloxy-2,2-dimethylbutyl) [(4-methoxyphenyl) sulfonyl] amino-2-hydroxypropyl) carbamate

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

AIDS095495 [DBID]
AIDS-095495 [DBID]

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: 1.605
Molar Refractivity: 165.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 460.82
ACD/KOC (pH 5.5): 2806.45
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 460.76
ACD/KOC (pH 7.4): 2806.07
Polar Surface Area: 184 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 63.4±5.0 dyne/cm
Molar Volume: 481.0±5.0 cm3

Click to predict properties on the Chemicalize site


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