ChemSpider 2D Image | (1S,4S,6R,13S,14R,16R,18R)-4,5-Dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.0~1,5~.0~6,11~.0~14,16~]nonadeca-2,11-dien-19-one | C23H32O5

(1S,4S,6R,13S,14R,16R,18R)-4,5-Dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-19-one

  • Molecular FormulaC23H32O5
  • Average mass388.497 Da
  • Monoisotopic mass388.224976 Da
  • ChemSpider ID35308420

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,4S,6R,13S,14R,16R,18R)-4,5-Dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-19-on [German] [ACD/IUPAC Name]
(1S,4S,6R,13S,14R,16R,18R)-4,5-Dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-19-one [ACD/IUPAC Name]
(1S,4S,6R,13S,14R,16R,18R)-4,5-Dihydroxy-3,8,8,15,15,18-hexaméthyl-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadéca-2,11-dién-19-one [French] [ACD/IUPAC Name]
77573-43-4 [RN]
7H-6,9a-Methano-4H-cyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d]-1,3-dioxin-13-one, 6,6a,7a,8,9,12,12a,12b-octahydro-12,12a-dihydroxy-2,2,7,7,9,11-hexamethyl-, (6S,6aR,7aR,9R,9aS,12S,12bR)- [ACD/Index Name]
Ingenol-5,20-acetonide
MFCD28411511

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 180.5±23.6 °C
Index of Refraction: 1.593
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 876.79
ACD/KOC (pH 5.5): 4447.61
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 876.77
ACD/KOC (pH 7.4): 4447.46
Polar Surface Area: 76 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 307.6±5.0 cm3

Click to predict properties on the Chemicalize site


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