ChemSpider 2D Image | (8S,11S)-11-{(1R)-1-Hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-8-carboxamide | C28H38N4O7S

(8S,11S)-11-{(1R)-1-Hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-8-carboxamide

  • Molecular FormulaC28H38N4O7S
  • Average mass574.689 Da
  • Monoisotopic mass574.246094 Da
  • ChemSpider ID23139500

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8S,11S)-11-{(1R)-1-Hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-8-carboxamid [German] [ACD/IUPAC Name]
(8S,11S)-11-{(1R)-1-Hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-8-carboxamide [ACD/IUPAC Name]
(8S,11S)-11-{(1R)-1-Hydroxy-2-[(3-méthylbutyl)(phénylsulfonyl)amino]éthyl}-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadéca-1(15),13,16-triène-8-carboxamide [French] [ACD/IUPAC Name]
2-Oxa-7,10-diazabicyclo[11.2.2]heptadeca-13,15,16-triene-8-carboxamide, 11-[(1R)-1-hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl]-6,9-dioxo-, (8S,11S)- [ACD/Index Name]
(S)-11-{(S)-2-[Benzenesulfonyl-(3-methyl-butyl)-amino]-1-(R)-hydroxy-ethyl}-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca-1(16),13(17),14-triene-8-carboxylic acid amide
CHEMBL45135

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: 1.562
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.46
ACD/KOC (pH 5.5): 234.48
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 6.89
ACD/KOC (pH 7.4): 111.62
Polar Surface Area: 177 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 464.4±3.0 cm3

Click to predict properties on the Chemicalize site


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