ChemSpider 2D Image | 15-(β-D-Glucopyranosyloxy)-3,8-dihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one | C27H34O11

15-(β-D-Glucopyranosyloxy)-3,8-dihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one

  • Molecular FormulaC27H34O11
  • Average mass534.552 Da
  • Monoisotopic mass534.210083 Da
  • ChemSpider ID8991455

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

12,17-Dihydroxy-3,4-dimethoxy-11-oxotricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaen-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
12,17-Dihydroxy-3,4-dimethoxy-11-oxotricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaen-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
15-(β-D-Glucopyranosyloxy)-3,8-dihydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one
191999-63-0 [RN]
Tricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaen-9-one, 15-(β-D-glucopyranosyloxy)-3,8-dihydroxy-16,17-dimethoxy- [ACD/Index Name]
β-D-Glucopyranoside de 12,17-dihydroxy-3,4-diméthoxy-11-oxotricyclo[12.3.1.12,6]nonadéca-1(18),2(19),3,5,14,16-hexaén-5-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: 828.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 275.5±27.8 °C
Index of Refraction: 1.620
Molar Refractivity: 134.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.19
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.66
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.10
Polar Surface Area: 175 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 381.8±3.0 cm3

Click to predict properties on the Chemicalize site


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