ChemSpider 2D Image | antcin C | C29H42O5

antcin C

  • Molecular FormulaC29H42O5
  • Average mass470.641 Da
  • Monoisotopic mass470.303223 Da
  • ChemSpider ID31129173

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4α,5α,7β,25S)-7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid [ACD/IUPAC Name]
(4α,5α,7β,25S)-7-Hydroxy-4-methyl-3,11-dioxoergosta-8,24(28)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (4α,5α,7β,25S)-7-hydroxy-4-méthyl-3,11-dioxoergosta-8,24(28)-dién-26-oïque [French] [ACD/IUPAC Name]
antcin C
Ergosta-8,24(28)-dien-26-oic acid, 7-hydroxy-4-methyl-3,11-dioxo-, (4α,5α,7β,25S)- [ACD/Index Name]
163565-76-2 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 641.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 355.8±28.0 °C
Index of Refraction: 1.555
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 140.89
ACD/KOC (pH 5.5): 641.74
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 2.21
ACD/KOC (pH 7.4): 10.09
Polar Surface Area: 92 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 406.4±5.0 cm3

Click to predict properties on the Chemicalize site


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