ChemSpider 2D Image | 4-(3-{[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-1,2-phenylene diacetate | C31H34O18

4-(3-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-1,2-phenylene diacetate

  • Molecular FormulaC31H34O18
  • Average mass694.591 Da
  • Monoisotopic mass694.174500 Da
  • ChemSpider ID4589342

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-(3-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-1,2-phenylene diacetate [ACD/IUPAC Name]
4-(3-{[6-O-(6-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-1,2-phenylen-diacetat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-bis(acetyloxy)phenyl)-3-((6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl)oxy)-5,7-dihydroxy-
4H-1-Benzopyran-4-one, 2-[3,4-bis(acetyloxy)phenyl]-3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7-dihydroxy- [ACD/Index Name]
Diacétate de 4-(3-{[6-O-(6-désoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-chromén-2-yl)-1,2-phénylène [French] [ACD/IUPAC Name]
132151-81-6 [RN]
Rutacil

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

Density: 1.7±0.1 g/cm3
Boiling Point: 969.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.9±3.0 kJ/mol
Flash Point: 310.2±27.8 °C
Index of Refraction: 1.695
Molar Refractivity: 157.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.31
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 278 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 100.4±5.0 dyne/cm
Molar Volume: 409.1±5.0 cm3

Click to predict properties on the Chemicalize site


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