ChemSpider 2D Image | N-[24-Oxo-3-(sulfooxy)cholan-24-yl]glycine | C26H43NO7S

N-[24-Oxo-3-(sulfooxy)cholan-24-yl]glycine

  • Molecular FormulaC26H43NO7S
  • Average mass513.687 Da
  • Monoisotopic mass513.276001 Da
  • ChemSpider ID2858755

More details:

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

Glycine, N-[24-oxo-3-(sulfooxy)cholan-24-yl]- [ACD/Index Name]
N-[24-Oxo-3-(sulfooxy)cholan-24-yl]glycin [German] [ACD/IUPAC Name]
N-[24-Oxo-3-(sulfooxy)cholan-24-yl]glycine [ACD/IUPAC Name]
N-[24-Oxo-3-(sulfooxy)cholan-24-yl]glycine [French] [ACD/IUPAC Name]
15324-64-8 [RN]
2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-DIMETHYL-3-SULFOOXY-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL]PENTANOYL]AMINO]ACETIC ACID

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: 1.563
Molar Refractivity: 131.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.85
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 138 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 405.4±5.0 cm3

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