ChemSpider 2D Image | MFCD12912383 | C26H43NO2

MFCD12912383

  • Molecular FormulaC26H43NO2
  • Average mass401.625 Da
  • Monoisotopic mass401.329376 Da
  • ChemSpider ID49071803

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S)-2-[(3S,5S,9R,10S,13R,14R,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-isobutylpropanamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-2-[(3S,5S,9R,10S,13R,14R,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-isobutylpropanamide (non-preferred name) [ACD/IUPAC Name]
(2S)-2-[(3S,5S,9R,10S,13R,14R,17R)-3-Hydroxy-10,13-diméthyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-yl]-N-isobutylpropanamide (non-preferred name) [French] [ACD/IUPAC Name]
(3S,20S)-20-N-(2-Methylpropyl)carbamoylpregn-7-en-3β-ol
(3S,20S)-3β-Hydroxy-N-(2-methylpropyl)-7-pregnene-20-carboxamide
1058719-76-8 [RN]
Lathosterol Oxidase Inhibitor
Lathosterolamide MGI-39
MFCD12912383
2-[(3S,5S,9R,10S,13R,14R,17R)-3-Hydroxy-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(2-methylpropyl)propanamide (non-preferred name)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 555.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.1±6.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 119.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 5.25
ACD/BCF (pH 5.5): 5781.01
ACD/KOC (pH 5.5): 17156.71
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 5781.02
ACD/KOC (pH 7.4): 17156.73
Polar Surface Area: 49 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 379.6±5.0 cm3

Click to predict properties on the Chemicalize site


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