ChemSpider 2D Image | (3R)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[(2S)-2-{2-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-2-methylhydrazino}-3-methylbutanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate | C38H53N5O6S

(3R)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[(2S)-2-{2-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-2-methylhydrazino}-3-methylbutanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate

  • Molecular FormulaC38H53N5O6S
  • Average mass707.922 Da
  • Monoisotopic mass707.371643 Da
  • ChemSpider ID23184689

  • 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,4S,5S)-4-hydroxy-5-{[(2S)-2-{2-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-2-methylhydrazino}-3-methylbutanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
(3R)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[(2S)-3-methyl-2-(2-methyl-2-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}hydrazinyl)butanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate
(3R)-Hexahydrofuro[2,3-b]furan-3-yl-[(2S,4S,5S)-4-hydroxy-5-{[(2S)-2-{2-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-2-methylhydrazino}-3-methylbutanoyl]amino}-1,6-diphenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,4S,5S)-4-Hydroxy-5-{[(2S)-2-{2-[(2-isopropyl-1,3-thiazol-4-yl)méthyl]-2-méthylhydrazino}-3-méthylbutanoyl]amino}-1,6-diphényl-2-hexanyl]carbamate de (3R)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,3S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-[2-methyl-2-[[2-(1-methylethyl)-4-thiazolyl]methyl]hydrazinyl]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, (3R)-hexahydrofuro[2,3-b] furan-3-yl ester [ACD/Index Name]
carbamic acid, N-[(1S,3S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-[2-methyl-2-[[2-(1-methylethyl)-4-thiazolyl]methyl]hydrazinyl]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, (3R)-hexahydrofuro[2,3-b]furan-3-yl ester
((1S,3S,4S)-1-Benzyl-3-hydroxy-4-{(S)-2-[N'-(2-isopropyl-thiazol-4-ylmethyl)-N'-methyl-hydrazino]-3-methyl-butyrylamino}-5-phenyl-pentyl)-carbamic acid (R)-(hexahydro-furo[2,3-b]furan-3-yl) ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL433396/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 196.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2173.88
ACD/KOC (pH 5.5): 8220.06
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2460.75
ACD/KOC (pH 7.4): 9304.82
Polar Surface Area: 163 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 569.2±5.0 cm3

Click to predict properties on the Chemicalize site


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