ChemSpider 2D Image | 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-4-yl 4,6-O-(2-thienylmethylene)hexopyranoside | C32H32O13S

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-4-yl 4,6-O-(2-thienylmethylene)hexopyranoside

  • Molecular FormulaC32H32O13S
  • Average mass656.654 Da
  • Monoisotopic mass656.156372 Da
  • ChemSpider ID2659701

More details:

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

4,6-O-(2-Thiénylméthylène)hexopyranoside de 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-4-yle [French] [ACD/IUPAC Name]
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-4-yl 4,6-O-(2-thienylmethylene)hexopyranoside [ACD/IUPAC Name]
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-4-yl-4,6-O-(2-thienylmethylen)hexopyranosid [German] [ACD/IUPAC Name]
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-10-[[4,6-O-(2-thienylmethylene)hexopyranosyl]oxy]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 880.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.1±3.0 kJ/mol
Flash Point: 486.4±34.3 °C
Index of Refraction: 1.645
Molar Refractivity: 159.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.77
ACD/KOC (pH 5.5): 315.72
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.71
ACD/KOC (pH 7.4): 314.73
Polar Surface Area: 189 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 439.1±3.0 cm3

Click to predict properties on the Chemicalize site


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