ChemSpider 2D Image | Methyl (2Z)-[(5R,6R,8S,9S,10R,11S,13S,14S)-6-fluoro-5,11-dihydroxy-10,13-dimethyltetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(2H)-ylidene]acetate | C24H35FO6

Methyl (2Z)-[(5R,6R,8S,9S,10R,11S,13S,14S)-6-fluoro-5,11-dihydroxy-10,13-dimethyltetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(2H)-ylidene]acetate

  • Molecular FormulaC24H35FO6
  • Average mass438.530 Da
  • Monoisotopic mass438.241760 Da
  • ChemSpider ID73975175

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Acetic acid, 2-[(5R,6R,8S,9S,10R,11S,13S,14S)-6-fluorotetradecahydro-5,11-dihydroxy-10,13-dimethylspiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(2H)-ylidene]-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-[(5R,6R,8S,9S,10R,11S,13S,14S)-6-fluoro-5,11-dihydroxy-10,13-dimethyltetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17(2H)-ylidene]acetate [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 566.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 296.2±30.1 °C
Index of Refraction: 1.565
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 51.40
ACD/KOC (pH 5.5): 583.90
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 51.40
ACD/KOC (pH 7.4): 583.90
Polar Surface Area: 85 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 340.9±5.0 cm3

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