ChemSpider 2D Image | (14S)-13-Methyl-11,12,13,14,15,16-hexahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxiran]-3-ol | C19H20O2

(14S)-13-Methyl-11,12,13,14,15,16-hexahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxiran]-3-ol

  • Molecular FormulaC19H20O2
  • Average mass280.361 Da
  • Monoisotopic mass280.146332 Da
  • ChemSpider ID58817517

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(14S)-13-Methyl-11,12,13,14,15,16-hexahydrospiro[cyclopenta[a]phenanthrene-17,2'-oxiran]-3-ol [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'-oxiran]-3-ol, 11,12,13,14,15,16-hexahydro-13-methyl-, (14S)- [ACD/Index Name]
75347-04-5 [RN]
SPIRO-17 SS-OXIRANYLESTRA-1,3,5(10),6,8-PENTAENE-3-OL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 475.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 227.3±19.6 °C
Index of Refraction: 1.683
Molar Refractivity: 83.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 437.25
ACD/KOC (pH 5.5): 2702.92
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 435.44
ACD/KOC (pH 7.4): 2691.71
Polar Surface Area: 33 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 219.1±5.0 cm3

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