ChemSpider 2D Image | etoposide toniribate | C36H42O17

etoposide toniribate

  • Molecular FormulaC36H42O17
  • Average mass746.708 Da
  • Monoisotopic mass746.242188 Da
  • ChemSpider ID59718650

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 4-[(5R,5aR,8aR,9S)-9-({4,6-O-[(1R)-ethylidene]-β-D-glucopyranosyl}oxy)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]-2,6-dimetho xyphenyl carbonate [ACD/IUPAC Name]
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl-4-[(5R,5aR,8aR,9S)-9-({4,6-O-[(1R)-ethyliden]-β-D-glucopyranosyl}oxy)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]-2,6-dimethox yphenylcarbonat [German] [ACD/IUPAC Name]
433304-61-1 [RN]
A59HL2Q48U
Carbonate de (2,2-diméthyl-1,3-dioxolan-4-yl)méthyle et de 4-[(5R,5aR,8aR,9S)-9-({4,6-O-[(1R)-éthylidène]-β-D-glucopyranosyl}oxy)-6-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxo l-5-yl]-2,6-diméthoxyphényle [French] [ACD/IUPAC Name]
Carbonic acid, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-[(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]-2,6-dimethoxyphenyl ester [ACD/Index Name]
etoposide toniribate [INN]
etoposidi toniribas [Latin] [INN]
toniribate d'étoposide [French] [INN]
toniribato de etopósido [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10430 [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: 883.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.5±3.0 kJ/mol
Flash Point: 274.6±27.8 °C
Index of Refraction: 1.628
Molar Refractivity: 176.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.11
ACD/KOC (pH 5.5): 111.79
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.11
ACD/KOC (pH 7.4): 111.79
Polar Surface Area: 195 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 495.9±5.0 cm3

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