ChemSpider 2D Image | 6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 6-deoxy-2-O-(6-deoxy-3-O-methyl-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | C32H32O14

6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 6-deoxy-2-O-(6-deoxy-3-O-methyl-α-L-galactopyranosyl)-β-D-galactopyranoside

  • Molecular FormulaC32H32O14
  • Average mass640.588 Da
  • Monoisotopic mass640.179199 Da
  • ChemSpider ID22842335

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

6-Désoxy-2-O-(6-désoxy-3-O-méthyl-α-L-galactopyranosyl)-β-D-galactopyranoside de 6-hydroxy-1-méthyl-5,12-dioxo-5,12-dihydrobenzo[h]chroméno[5,4,3-cde]chromén-10-yle [French] [ACD/IUPAC Name]
6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl 6-deoxy-2-O-(6-deoxy-3-O-methyl-α-L-galactopyranosyl)-β-D-galactopyranoside [ACD/IUPAC Name]
6-Hydroxy-1-methyl-5,12-dioxo-5,12-dihydrobenzo[h]chromeno[5,4,3-cde]chromen-10-yl-6-desoxy-2-O-(6-desoxy-3-O-methyl-α-L-galactopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
Benzo[g][2]benzopyrano[5,4,3-cde][2]benzopyran-5,12-dione, 10-[[6-deoxy-2-O-(6-deoxy-3-O-methyl-α-L-galactopyranosyl)-β-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 945.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.2±3.0 kJ/mol
Flash Point: 307.9±27.8 °C
Index of Refraction: 1.718
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 182.37
ACD/KOC (pH 5.5): 1416.12
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 28.34
ACD/KOC (pH 7.4): 220.10
Polar Surface Area: 200 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 90.4±5.0 dyne/cm
Molar Volume: 392.5±5.0 cm3

Click to predict properties on the Chemicalize site


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