ChemSpider 2D Image | (4S,6S,9R,13S,14S,17S)-9,14-Dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadec-6-yl acetate | C23H32O9

(4S,6S,9R,13S,14S,17S)-9,14-Dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec-6-yl acetate

  • Molecular FormulaC23H32O9
  • Average mass452.495 Da
  • Monoisotopic mass452.204620 Da
  • ChemSpider ID20057587

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(4S,6S,9R,13S,14S,17S)-9,14-Dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec-6-yl acetate [ACD/IUPAC Name]
(4S,6S,9R,13S,14S,17S)-9,14-Dihydroxy-17-(methoxymethyl)-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec-6-yl-acetat [German] [ACD/IUPAC Name]
5H-5a,8-Methano-11H-cyclohepta[c]furo[3,4-e][1]benzopyran-5,6(7H)-dione, 2-(acetyloxy)decahydro-10,13-dihydroxy-7-(methoxymethyl)-1,1-dimethyl-, (2S,3aS,7S,10S,10aS,13R)- [ACD/Index Name]
Acétate de (4S,6S,9R,13S,14S,17S)-9,14-dihydroxy-17-(méthoxyméthyl)-7,7-diméthyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadéc-6-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±6.0 kJ/mol
Flash Point: 222.8±25.0 °C
Index of Refraction: 1.577
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.68
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.68
Polar Surface Area: 129 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 327.7±5.0 cm3

Click to predict properties on the Chemicalize site


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