ChemSpider 2D Image | Nat-20(S)-yne | C25H38O2

Nat-20(S)-yne

  • Molecular FormulaC25H38O2
  • Average mass370.568 Da
  • Monoisotopic mass370.287170 Da
  • ChemSpider ID26327225

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-Hydroxy-5-hexin-2-yl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol [German] [ACD/IUPAC Name]
(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-Hydroxy-5-hexyn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol [ACD/IUPAC Name]
(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-Hydroxy-5-hexyn-2-yl]-10,13-diméthyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-3-ol [French] [ACD/IUPAC Name]
(3α, 17β)-17-(1-Hydroxy-1methylpent-4-ynyl)-androst-5-en-3-ol
1397692-46-4 [RN]
Nat-20(S)-yne
(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxyhex-5-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
(3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol
(3β)-26,27-Dinorcholest-5-en-24-yne-3,20-diol
26,27-dinorcholest-5-en-24-yne-3?,20-diol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 510.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 220.7±17.8 °C
Index of Refraction: 1.560
Molar Refractivity: 110.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8326.70
ACD/KOC (pH 5.5): 22277.43
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8326.70
ACD/KOC (pH 7.4): 22277.43
Polar Surface Area: 40 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 340.5±5.0 cm3

Click to predict properties on the Chemicalize site


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