ChemSpider 2D Image | (3R)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({(2S)-3-methyl-2-[2-methyl-2-(1,3-thiazol-5-ylmethyl)hydrazino]butanoyl}amino)-1,6-diphenyl-2-hexanyl]carbamate | C35H47N5O6S

(3R)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({(2S)-3-methyl-2-[2-methyl-2-(1,3-thiazol-5-ylmethyl)hydrazino]butanoyl}amino)-1,6-diphenyl-2-hexanyl]carbamate

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID23184298

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3R)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({(2S)-3-methyl-2-[2-methyl-2-(1,3-thiazol-5-ylmethyl)hydrazino]butanoyl}amino)-1,6-diphenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
(3R)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({(2S)-3-methyl-2-[2-methyl-2-(1,3-thiazol-5-ylmethyl)hydrazinyl]butanoyl}amino)-1,6-diphenylhexan-2-yl]carbamate
(3R)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,3S,5S)-3-hydroxy-5-({(2S)-3-methyl-2-[2-methyl-2-(1,3-thiazol-5-ylmethyl)hydrazino]butanoyl}amino)-1,6-diphenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3S,5S)-3-Hydroxy-5-({(2S)-3-méthyl-2-[2-méthyl-2-(1,3-thiazol-5-ylméthyl)hydrazino]butanoyl}amino)-1,6-diphényl-2-hexanyl]carbamate de (3R)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2S,4S)-2-hydroxy-4-[[(2S)-3-methyl-2-[2-methyl-2-(5-thiazolylmethyl)hydrazinyl]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, (3R)-hexahydrofuro[2,3-b]furan-3-yl ester [ACD/Index Name]
{(1S,2S,4S)-1-Benzyl-2-hydroxy-4-[(S)-3-methyl-2-(N'-methyl-N'-thiazol-5-ylmethyl-hydrazino)-butyrylamino]-5-phenyl-pentyl}-carbamic acid (R)-(hexahydro-furo[2,3-b]furan-3-yl) ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL323528/

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: 1.617
Molar Refractivity: 182.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 393.41
ACD/KOC (pH 5.5): 2404.42
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 454.16
ACD/KOC (pH 7.4): 2775.74
Polar Surface Area: 163 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 521.0±5.0 cm3

Click to predict properties on the Chemicalize site


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