ChemSpider 2D Image | (1aR,5aS,7aS,8aS,9aS,9dS)-5a,7a-Dimethyl-5'-oxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3-sulfonic acid | C24H34O5S

(1aR,5aS,7aS,8aS,9aS,9dS)-5a,7a-Dimethyl-5'-oxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3-sulfonic acid

  • Molecular FormulaC24H34O5S
  • Average mass434.589 Da
  • Monoisotopic mass434.212708 Da
  • ChemSpider ID74886831

  • defined stereocentres - 6 of 12 defined stereocentres

More details:

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

(1aR,5aS,7aS,8aS,9aS,9dS)-5a,7a-Dimethyl-5'-oxoicosahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3-sulfonic acid [ACD/IUPAC Name]
Spiro[8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'(3'H)-furan]-3-sulfonic acid, eicosahydro-5a,7a-dimethyl-5'-oxo-, (1aR,5aS,7aS,8aS,9aS,9dS)- [ACD/Index Name]
4,5-Dihydro-drospirenone-3-sulfate

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

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: 1.617
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 89 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 316.9±5.0 cm3

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