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-alpha-D-galactopyranosyl)-beta-D-galactopyranoside | C31H30O14

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-α-D-galactopyranosyl)-β-D-galactopyranoside

  • Molecular FormulaC31H30O14
  • Average mass626.562 Da
  • Monoisotopic mass626.163574 Da
  • ChemSpider ID4677870
  • defined stereocentres - 10 of 10 defined stereocentres


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

10-((6-Deoxy-2-O-(6-deoxy-α-D-galactopyranosyl)-β-D-galactopyranosyl)oxy)-6-hydroxy-1-methylbenzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione
6-Désoxy-2-O-(6-désoxy-α-D-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-α-D-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-α-D-galactopyranosyl)-β-D-galactopyranosid [German] [ACD/IUPAC Name]
Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deoxy-2-O-(6-deoxy-α-D-galactopyranosyl)-β-D-galactopyranosyl)oxy)-6-hydroxy-1-methyl-
Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dione, 10-[[6-deoxy-2-O-(6-deoxy-α-D-galactopyranosyl)-β-D-galactopyranosyl]oxy]-6-hydroxy-1-methyl- [ACD/Index Name]
128229-64-1 [RN]
3''-Demethylchartreusin
Benzo(h)(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,12-dione, 10-((6-deox y-2-O-(6-deoxy-α-D-galact
BENZO[H](1)BENZOPYRANO(5,4,3-CDE)(1)BENZOPYRAN-5,12-DIONE,10-((6-DEOX Y-2-O-(6-DEOXY-A-D-GALACTOPYRANOSYL)-SS-D-GALACTOPYRANOSYL)OXY)- 6-HYDROXY-1-METHYL-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 948.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.6±3.0 kJ/mol
Flash Point: 311.3±27.8 °C
Index of Refraction: 1.751
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 92.74
ACD/KOC (pH 5.5): 872.73
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 14.42
ACD/KOC (pH 7.4): 135.69
Polar Surface Area: 211 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 101.4±5.0 dyne/cm
Molar Volume: 367.8±5.0 cm3

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