ChemSpider 2D Image | [(1R,2E,8S,10S,11S)-8,10,11-Trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0~3,7~]tetradeca-2,6-dien-6-yl]methyl acetate | C17H22O8

[(1R,2E,8S,10S,11S)-8,10,11-Trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl acetate

  • Molecular FormulaC17H22O8
  • Average mass354.352 Da
  • Monoisotopic mass354.131470 Da
  • ChemSpider ID23310927

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1R,2E,8S,10S,11S)-8,10,11-Trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl acetate [ACD/IUPAC Name]
[(1R,2E,8S,10S,11S)-8,10,11-Trihydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-6-yl]methyl-acetat [German] [ACD/IUPAC Name]
[(4S,6S,7S,10R,11E)-4,6,7-trihydroxy-6,10-dimethyl-2-oxo-2,4,5,6,7,8,9,10-octahydro-7,10-epoxycyclodeca[b]furan-3-yl]methyl acetate
7,10-Epoxycyclodeca[b]furan-2(4H)-one, 3-[(acetyloxy)methyl]-5,6,7,8,9,10-hexahydro-4,6,7-trihydroxy-6,10-dimethyl-, (4S,6S,7S,10R,11E)- [ACD/Index Name]
Acétate de [(1R,2E,8S,10S,11S)-8,10,11-trihydroxy-1,10-diméthyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tétradéca-2,6-dién-6-yl]méthyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL400993/
pitocarphin D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 591.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 215.8±23.6 °C
Index of Refraction: 1.601
Molar Refractivity: 83.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.04
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.04
Polar Surface Area: 123 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 244.8±5.0 cm3

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