ChemSpider 2D Image | (5S,5aR,8aR,9R)-9-(5-Methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)-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 | C28H28O13

(5S,5aR,8aR,9R)-9-(5-Methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)-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 FormulaC28H28O13
  • Average mass572.514 Da
  • Monoisotopic mass572.153015 Da
  • ChemSpider ID31126076

  • 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-(5-Methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)-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-(5-Methoxy-3,4-dioxo-1,5-cyclohexadien-1-yl)-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]
3,5-Cyclohexadiene-1,2-dione, 5-[(5R,5aR,8aR,9S)-9-[[4,6-O-[(1R)-ethylidene]-β-D-glucopyranosyl]oxy]-5,5a,6,8,8a,9-hexahydro-6-oxofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-5-yl]-3-methoxy- [ACD/Index Name]
4,6-O-[(1R)-Éthylidène]-β-D-glucopyranoside de (5S,5aR,8aR,9R)-9-(5-méthoxy-3,4-dioxo-1,5-cyclohexadién-1-yl)-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]
105016-65-7 [RN]
5-[(5R,5aR,8aR,9S)-9-[(4,6-O-(1R)-ethylidene-?-D-glucopyranosyl)oxy]-5,5a,6,8,8a,9-hexahydro-6-oxofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-5-yl]-3-methoxy-3,5-cyclohexadiene-1,2-dione
5-[(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]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione
Etoposide ortho-quinone
Etoposide quinone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 820.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 275.0±27.8 °C
Index of Refraction: 1.660
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.40
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.71
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.71
Polar Surface Area: 166 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 75.9±5.0 dyne/cm
Molar Volume: 359.9±5.0 cm3

Click to predict properties on the Chemicalize site


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