ChemSpider 2D Image | 4,5-DIHYDRODROSPIRENONE-3-SULFATE | C24H34O6S

4,5-DIHYDRODROSPIRENONE-3-SULFATE

  • Molecular FormulaC24H34O6S
  • Average mass450.588 Da
  • Monoisotopic mass450.207611 Da
  • ChemSpider ID52085267

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1aR,1bR,3R,5aS,5bS,8S,8aS,9aS,9bS,9cR,9dS)-5a,7a-Dimethyl-5'-oxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3-yl hydrogen sulfate [ACD/IUPAC Name]
4,5-DIHYDRODROSPIRENONE-3-SULFATE
Spiro[8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'(5'H)-furan]-5'-one, eicosahydro-5a,7a-dimethyl-3-(sulfooxy)-, (1aR,1bR,3R,5aS,5bS,8S,8aS,9aS,9bS,9cR,9dS)- [ACD/Index Name]

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

7U9Y8CB2HM [DBID]
UNII:7U9Y8CB2HM [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: 1.615
Molar Refractivity: 112.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 322.9±5.0 cm3

Click to predict properties on the Chemicalize site


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