ChemSpider 2D Image | 3-KETOPETROMYZONOL SULFATE | C24H40O7S

3-KETOPETROMYZONOL SULFATE

  • Molecular FormulaC24H40O7S
  • Average mass472.635 Da
  • Monoisotopic mass472.249481 Da
  • ChemSpider ID32699044
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(5α,7α,12α,20R)-7,12-Dihydroxy-3-oxocholan-24-yl hydrogen sulfate [ACD/IUPAC Name]
(5α,7α,12α,20R)-7,12-Dihydroxy-3-oxocholan-24-ylhydrogensulfat [German] [ACD/IUPAC Name]
3-KETOPETROMYZONOL SULFATE
435327-06-3 [RN]
Cholan-3-one, 7,12-dihydroxy-24-(sulfooxy)-, (5α,7α,12α,20R)- [ACD/Index Name]
Hydrogénosulfate de (5α,7α,12α,20R)-7,12-dihydroxy-3-oxocholan-24-yle [French] [ACD/IUPAC Name]

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

A06040390W [DBID]
UNII:A06040390W [DBID]
UNII-A06040390W [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.554
Molar Refractivity: 120.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): -2.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 374.6±3.0 cm3

Click to predict properties on the Chemicalize site






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