ChemSpider 2D Image | (5R)-1,3-Dioxepan-5-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate | C27H38N2O8S

(5R)-1,3-Dioxepan-5-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC27H38N2O8S
  • Average mass550.664 Da
  • Monoisotopic mass550.234863 Da
  • ChemSpider ID23343413

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5r)-1,3-Dioxepan-5-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-{[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)amino}propyl]carbamate
(5R)-1,3-Dioxepan-5-yl [(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
(5R)-1,3-Dioxepan-5-yl-[(2S,3R)-3-hydroxy-4-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
[(2S,3R)-3-Hydroxy-4-{isobutyl[(4-méthoxyphényl)sulfonyl]amino}-1-phényl-2-butanyl]carbamate de (5R)-1,3-dioxépan-5-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (5R)-1,3-dioxepan-5-yl ester [ACD/Index Name]
(1S,2R)-{1-Benzyl-2-hydroxy-3-[isobutyl(4-methoxybenzenesulfonyl)amino]propyl}carbamic Acid (1R)-3,5-Dioxacycloheptan-1-yl Ester
(5R)-1,3-dioxepan-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
(R)-(hydroxyethylamino)sulfonamide isostere, 3d
G55
GRL-0255A
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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: 1.586
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 882.86
ACD/KOC (pH 5.5): 4469.60
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 882.74
ACD/KOC (pH 7.4): 4469.03
Polar Surface Area: 132 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 428.5±5.0 cm3

Click to predict properties on the Chemicalize site


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