ChemSpider 2D Image | N-OXIDE ABIRATERONE SULFATE | C24H31NO5S

N-OXIDE ABIRATERONE SULFATE

  • Molecular FormulaC24H31NO5S
  • Average mass445.572 Da
  • Monoisotopic mass445.192291 Da
  • ChemSpider ID52083976
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(3β)-17-(1-Oxido-3-pyridinyl)androsta-5,16-dien-3-yl hydrogen sulfate [ACD/IUPAC Name]
(3β)-17-(1-Oxido-3-pyridinyl)androsta-5,16-dien-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Androsta-5,16-dien-3-ol, 17-(1-oxido-3-pyridinyl)-, hydrogen sulfate (ester), (3β)- [ACD/Index Name]
Hydrogénosulfate de (3β)-17-(1-oxydo-3-pyridinyl)androsta-5,16-dién-3-yle [French] [ACD/IUPAC Name]
N-OXIDE ABIRATERONE SULFATE
ABIRATERONE-N-OXIDE SULFATE

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

17QH3E7BV9 [DBID]
UNII:17QH3E7BV9 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 117.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.63
ACD/KOC (pH 5.5): 609.97
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.62
ACD/KOC (pH 7.4): 609.84
Polar Surface Area: 97 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 317.2±7.0 cm3

Click to predict properties on the Chemicalize site






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