ChemSpider 2D Image | 4-(9-Methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl)phenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C29H32O16

4-(9-Methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl)phenyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC29H32O16
  • Average mass636.555 Da
  • Monoisotopic mass636.169006 Da
  • ChemSpider ID29814092

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-(9-Methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl)phenyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-(9-Methoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromen-7-yl)phenyl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 4-(9-méthoxy-8-oxo-8H-[1,3]dioxolo[4,5-g]chromén-7-yl)phényle [French] [ACD/IUPAC Name]
8H-1,3-Dioxolo[4,5-g][1]benzopyran-8-one, 7-[4-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-9-methoxy- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 934.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.5±3.0 kJ/mol
Flash Point: 306.3±27.8 °C
Index of Refraction: 1.711
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.64
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.64
Polar Surface Area: 233 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 100.1±5.0 dyne/cm
Molar Volume: 373.8±5.0 cm3

Click to predict properties on the Chemicalize site


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