ChemSpider 2D Image | Antcin A | C29H42O4

Antcin A

  • Molecular FormulaC29H42O4
  • Average mass454.641 Da
  • Monoisotopic mass454.308319 Da
  • ChemSpider ID23284574

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4α,5α,25S)-4-Methyl-3,11-dioxoergosta-8,24(28)-dien-26-oic acid [ACD/IUPAC Name]
(4α,5α,25S)-4-Methyl-3,11-dioxoergosta-8,24(28)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (4α,5α,25S)-4-méthyl-3,11-dioxoergosta-8,24(28)-dién-26-oïque [French] [ACD/IUPAC Name]
Antcin A
Ergosta-8,24(28)-dien-26-oic acid, 4-methyl-3,11-dioxo-, (4α,5α,25S)- [ACD/Index Name]
163597-24-8 [RN]
anticin A
Ergosta-8,24(28)-dien-26-oicacid, 4-methyl-3,11-dioxo-, (4a,5a,25S)-
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL388526/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 605.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 333.7±28.0 °C
Index of Refraction: 1.544
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 952.66
ACD/KOC (pH 5.5): 2521.04
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 14.97
ACD/KOC (pH 7.4): 39.62
Polar Surface Area: 71 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 408.5±5.0 cm3

Click to predict properties on the Chemicalize site


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