Found 1 result

Search term: ALWBGUNCNDFMFE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-({[4-(Hydroxymethyl)phenyl]sulfonyl}[(2s)-2-Methylbutyl]amino)propyl]carbamate | C29H40N2O8S

(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-({[4-(Hydroxymethyl)phenyl]sulfonyl}[(2s)-2-Methylbutyl]amino)propyl]carbamate

  • Molecular FormulaC29H40N2O8S
  • Average mass576.701 Da
  • Monoisotopic mass576.250549 Da
  • ChemSpider ID26327058

  • defined stereocentres - 6 of 6 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 [(1s,2r)-1-Benzyl-2-Hydroxy-3-({[4-(Hydroxymethyl)phenyl]sulfonyl}[(2s)-2-Methylbutyl]amino)propyl]carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]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-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-({[4-(hydroxyméthyl)phényl]sulfonyl}[(2S)-2-méthylbutyl]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-(hydroxymethyl)phenyl]sulfonyl][(2S)-2-methylbutyl]amino]-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4532385/
K2A

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: 1.611
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 363.68
ACD/KOC (pH 5.5): 2369.03
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 363.64
ACD/KOC (pH 7.4): 2368.71
Polar Surface Area: 143 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 434.3±5.0 cm3

Click to predict properties on the Chemicalize site


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