ChemSpider 2D Image | (8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,7,8,8a,9-hexahydrofuro[2',3':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-ethylidenehexopyranoside | C29H32O13

(8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,7,8,8a,9-hexahydrofuro[2',3':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-ethylidenehexopyranoside

  • Molecular FormulaC29H32O13
  • Average mass588.557 Da
  • Monoisotopic mass588.184265 Da
  • ChemSpider ID23014363

  • defined stereocentres - 2 of 10 defined stereocentres

More details:

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

(8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,7,8,8a,9-hexahydrofuro[2',3':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-ethylidenehexopyranoside [ACD/IUPAC Name]
(8aR,9R)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,7,8,8a,9-hexahydrofuro[2',3':6,7]naphtho[2,3-d][1,3]dioxol-5-yl-4,6-O-ethylidenhexopyranosid [German] [ACD/IUPAC Name]
4,6-O-Éthylidènehexopyranoside de (8aR,9R)-9-(4-hydroxy-3,5-diméthoxyphényl)-8-oxo-5,5a,7,8,8a,9-hexahydrofuro[2',3':6,7]naphto[2,3-d][1,3]dioxol-5-yle [French] [ACD/IUPAC Name]
Furo[2',3':6,7]naphtho[2,3-d]-1,3-dioxol-8(7H)-one, 5-[(4,6-O-ethylidenehexopyranosyl)oxy]-5,5a,8a,9-tetrahydro-9-(4-hydroxy-3,5-dimethoxyphenyl)-, (8aR,9R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 777.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 256.4±26.4 °C
Index of Refraction: 1.662
Molar Refractivity: 140.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 52.70
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.78
ACD/KOC (pH 7.4): 52.54
Polar Surface Area: 161 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 378.5±5.0 cm3

Click to predict properties on the Chemicalize site


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