ChemSpider 2D Image | Bipinnatin P | C25H28O11

Bipinnatin P

  • Molecular FormulaC25H28O11
  • Average mass504.483 Da
  • Monoisotopic mass504.163147 Da
  • ChemSpider ID23314629

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2-[(1S,3R,5R,7Z,10S,11S,13S)-10,13-Diacétoxy-3,8-diméthyl-6,9,15-trioxo-4,16-dioxatricyclo[12.2.1.03,5]heptadéca-7,14(17)-dién-11-yl]acrylate de méthyle [French] [ACD/IUPAC Name]
4,16-Dioxatricyclo[12.2.1.03,5]heptadeca-7,14(17)-diene-11-acetic acid, 10,13-bis(acetyloxy)-3,8-dimethyl-α-methylene-6,9,15-trioxo-, methyl ester, (1S,3R,5R,7Z,10S,11S,13S)- [ACD/Index Name]
Bipinnatin P
methyl 2-[(1S,3R,5R,7Z,10S,11S,13S)-10,13-bis(acetyloxy)-3,8-dimethyl-6,9,15-trioxo-4,16-dioxatricyclo[12.2.1.03,5]heptadeca-7,14(17)-dien-11-yl]prop-2-enoate
Methyl 2-[(1S,3R,5R,7Z,10S,11S,13S)-10,13-diacetoxy-3,8-dimethyl-6,9,15-trioxo-4,16-dioxatricyclo[12.2.1.03,5]heptadeca-7,14(17)-dien-11-yl]acrylate [ACD/IUPAC Name]
Methyl-2-[(1S,3R,5R,7Z,10S,11S,13S)-10,13-diacetoxy-3,8-dimethyl-6,9,15-trioxo-4,16-dioxatricyclo[12.2.1.03,5]heptadeca-7,14(17)-dien-11-yl]acrylat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL402519/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 283.8±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 119.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.10
ACD/KOC (pH 5.5): 169.13
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.10
ACD/KOC (pH 7.4): 169.13
Polar Surface Area: 152 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 378.2±5.0 cm3

Click to predict properties on the Chemicalize site


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