Found 21 results

Search term: MF = 'C_{28}H_{36}N_{2}O_{9}S'
ChemSpider 2D Image | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-oxobutyl)amino}-1-phenyl-2-butanyl]carbamate | C28H36N2O9S

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

  • Molecular FormulaC28H36N2O9S
  • Average mass576.658 Da
  • Monoisotopic mass576.214172 Da
  • ChemSpider ID421521

  • 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)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-oxobutyl)amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-oxobutyl)amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{[(4-méthoxyphényl)sulfonyl](3-oxobutyl)amino}-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)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](3-oxobutyl)amino]-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
{(1S,2R)-3-[(4-Methoxybenzenesulfonyl)-(3-butanonyl)-amino] - 1-benzyl-2-hydroxy-propyl}- carbamic acid (3R,3aS,6aR)-hexahydro-furo [2,3-b]furan-3-yl ester

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

AIDS095538 [DBID]
AIDS-095538 [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: 1.609
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 62.33
ACD/KOC (pH 5.5): 670.32
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 62.33
ACD/KOC (pH 7.4): 670.22
Polar Surface Area: 149 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 423.1±5.0 cm3

Click to predict properties on the Chemicalize site


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