ChemSpider 2D Image | ETP | C32H32O13S

ETP

  • Molecular FormulaC32H32O13S
  • Average mass656.654 Da
  • Monoisotopic mass656.156372 Da
  • ChemSpider ID4447668

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(8aR,9R)-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-5-yl 4,6-O-(2-thienylmethylene)-β-D-glucopyranoside [ACD/IUPAC Name]
(8aR,9R)-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-5-yl 4,6-O-(thiophen-2-ylmethylidene)-β-D-glucopyranoside
(8aR,9R)-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-5-yl-4,6-O-(2-thienylmethylen)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(8aR,9R)-9-[4-hydroxy-3,5-bis(methyloxy)phenyl]-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-(2-thienylmethylidene)-β-D-glucopyranoside
[5R-[5a,5ab,8aa,9b(R*)]]-5,8,8a,9-Tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-O-(2-thienylmethylene)-b-D-glucopyranosyl]oxy]furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one
249-831-2 [EINECS]
4,6-O-(2-Thiénylméthylène)-β-D-glucopyranoside de (8aR,9R)-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-5-yle [French] [ACD/IUPAC Name]
4'-Demethylepipodophyllotoxin 9-(4,6-O-2-Thenylidene-b-D-glucopyranoside)
4'-Demethylepipodophyllotoxin 9-(4,6-O-2-thenylidene-β-D-glucopyranoside)
4'-Demethylepipodophyllotoxin-b-D-thenylidine Glucoside
More...

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

HSDB 6546 [DBID]
VM 26 [DBID]
CCRIS 2058 [DBID]
NSC 122819 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 864.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 476.5±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 158.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.07
ACD/KOC (pH 5.5): 141.13
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.05
ACD/KOC (pH 7.4): 140.72
Polar Surface Area: 189 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 82.4±5.0 dyne/cm
Molar Volume: 410.9±5.0 cm3

Click to predict properties on the Chemicalize site


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