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

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

  • Molecular FormulaC29H32O13
  • Average mass588.557 Da
  • Monoisotopic mass588.184265 Da
  • ChemSpider ID315875

  • defined stereocentres - 1 of 9 defined stereocentres

More details:

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

(5aR)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-4-yl 4,6-O-ethylidenehexopyranoside [ACD/IUPAC Name]
(5aR)-9-(4-Hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-4-yl-4,6-O-ethylidenhexopyranosid [German] [ACD/IUPAC Name]
4,6-O-Éthylidènehexopyranoside de (5aR)-9-(4-hydroxy-3,5-diméthoxyphényl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-4-yle [French] [ACD/IUPAC Name]
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 10-[(4,6-O-ethylidenehexopyranosyl)oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (8aR)- [ACD/Index Name]
α-Peltatin-5-[4,6-O-(R)-ethylidene- β-D-glucopyranoside]

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

NCI60_004789 [DBID]
NSC610385 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 814.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.2±3.0 kJ/mol
Flash Point: 269.6±27.8 °C
Index of Refraction: 1.612
Molar Refractivity: 141.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.73
ACD/KOC (pH 5.5): 89.32
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 89.04
Polar Surface Area: 161 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 405.4±3.0 cm3

Click to predict properties on the Chemicalize site


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