ChemSpider 2D Image | 5-Hydroxy-8-methoxy-2,9-dimethyl-4-oxo-4H-benzo[g]chromen-6-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside | C27H32O14

5-Hydroxy-8-methoxy-2,9-dimethyl-4-oxo-4H-benzo[g]chromen-6-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside

  • Molecular FormulaC27H32O14
  • Average mass580.535 Da
  • Monoisotopic mass580.179199 Da
  • ChemSpider ID2339327

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

4H-Naphtho[2,3-b]pyran-4-one, 5-hydroxy-8-methoxy-2,9-dimethyl-6-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
5-Hydroxy-8-methoxy-2,9-dimethyl-4-oxo-4H-benzo[g]chromen-6-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-8-methoxy-2,9-dimethyl-4-oxo-4H-benzo[g]chromen-6-yl-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2R,3R,4R)-3,4-Dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]-β-D-glucopyranoside de 5-hydroxy-8-méthoxy-2,9-diméthyl-4-oxo-4H-benzo[g]chromén-6-yle [French] [ACD/IUPAC Name]
132922-81-7 [RN]
4H-Naphtho(2,3-b)pyran-4-one, 6-((6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)oxy)-5-hydroxy-8-methoxy-2,7-dimethyl-
QQFGP
Quinquangulin-6-apiofuranosyl-(1-6)-glucopyranoside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 888.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.3±3.0 kJ/mol
Flash Point: 295.1±27.8 °C
Index of Refraction: 1.707
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.95
ACD/LogD (pH 7.4): -0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.09
Polar Surface Area: 214 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 95.1±5.0 dyne/cm
Molar Volume: 353.7±5.0 cm3

Click to predict properties on the Chemicalize site


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