ChemSpider 2D Image | (5S,5aR,8aR,9S)-9-(2-Chloro-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-5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside | C29H31ClO13

(5S,5aR,8aR,9S)-9-(2-Chloro-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-5-yl 4,6-O-[(1R)-ethylidene]-β-D-glucopyranoside

  • Molecular FormulaC29H31ClO13
  • Average mass623.002 Da
  • Monoisotopic mass622.145325 Da
  • ChemSpider ID116727

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5S,5aR,8aR,9S)-9-(2-Chlor-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-5-yl-4,6-O-[(1R)-ethyliden]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(5S,5aR,8aR,9S)-9-(2-Chloro-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-5-yl 4,6-O-[(1R)-ethylidene]-β-D-glucopyranoside [ACD/IUPAC Name]
4,6-O-[(1R)-Éthylidène]-β-D-glucopyranoside de (5S,5aR,8aR,9S)-9-(2-chloro-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-5-yle [French] [ACD/IUPAC Name]
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-[(1R)-ethylidene]-β-D-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-, (5S,5aR,8aR,9S)- [ACD/Index Name]
(5S-(5α,5aβ,8aα,9β(S*)))-5-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-O-ethylidene-β-D-glucopyranosyl)oxy)-5,8,8a,9-tetrahydrofuro(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one
138261-30-0 [RN]
2'-Chloroetoposide
Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one, 5-(2-chloro-4-hydroxy-3,5-dimethoxyphenyl)-9-((4,6-O-ethylidene-β-D-glucopyranosyl)oxy)-5,8,8A,9-tetrahydro-, (5S-(5α,5aβ,8aα,9β(S*)))-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 798.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 436.5±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.90
ACD/KOC (pH 5.5): 166.35
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.67
ACD/KOC (pH 7.4): 162.18
Polar Surface Area: 161 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 78.0±5.0 dyne/cm
Molar Volume: 389.2±5.0 cm3

Click to predict properties on the Chemicalize site


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