ChemSpider 2D Image | (5S,5aR,8aR,9R)-9-(3,4-Dihydroxy-5-methoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside | C28H30O13

(5S,5aR,8aR,9R)-9-(3,4-Dihydroxy-5-methoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-β-D-glucopyranoside

  • Molecular FormulaC28H30O13
  • Average mass574.530 Da
  • Monoisotopic mass574.168640 Da
  • ChemSpider ID113097

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5S,5aR,8aR,9R)-9-(3,4-Dihydroxy-5-methoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-[(1R)-ethylidene]-β-D-glucopyranoside [ACD/IUPAC Name]
(5S,5aR,8aR,9R)-9-(3,4-Dihydroxy-5-methoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl-4,6-O-[(1R)-ethyliden]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4,6-O-[(1R)-Éthylidène]-β-D-glucopyranoside de (5S,5aR,8aR,9R)-9-(3,4-dihydroxy-5-méthoxyphényl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-5-yle [French] [ACD/IUPAC Name]
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5-(3,4-dihydroxy-5-methoxyphenyl)-9-[[4,6-O-[(1R)-ethylidene]-β-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-, (5R,5aR,8aR,9S)- [ACD/Index Name]
(5R,5aR,8aR,9S)-5-(3,4-dihydroxy-5-methoxyphenyl)-9-[[4,6-O-(1R)-ethylidene-?-D-glucopyranosyl]oxy]-5,8,8a,9-furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4-dihydroxy-5-methoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
100007-54-3 [RN]
113566-41-9 [RN]
3',4'-Dihydroxyetoposide
3',4'-Dihydroxy-VP 16-213
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point: 824.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.6±3.0 kJ/mol
Flash Point: 275.5±27.8 °C
Index of Refraction: 1.690
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 41.87
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.27
ACD/KOC (pH 7.4): 41.10
Polar Surface Area: 172 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 85.6±5.0 dyne/cm
Molar Volume: 353.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement