ChemSpider 2D Image | 9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl 6-deoxy-beta-D-glucopyranoside | C27H26O11

9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl 6-deoxy-β-D-glucopyranoside

  • Molecular FormulaC27H26O11
  • Average mass526.489 Da
  • Monoisotopic mass526.147522 Da
  • ChemSpider ID9960492

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

6-Désoxy-β-D-glucopyranoside de 9-(1,3-benzodioxol-5-yl)-6,7-diméthoxy-1-oxo-1,3-dihydronaphto[2,3-c]furan-4-yle [French] [ACD/IUPAC Name]
9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl 6-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-4-yl-6-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Naphtho[2,3-c]furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-[(6-deoxy-β-D-glucopyranosyl)oxy]-6,7-dimethoxy- [ACD/Index Name]
857050-63-6 [RN]
9-(1,3-dioxaindan-5-yl)-6,7-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1H,3H-naphtho[2,3-c]furan-1-one
9-(2H-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1H,3H-naphtho[2,3-c]furan-1-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458904/
MFCD31690064
PATENTIFLORIN A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 809.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 274.9±27.8 °C
Index of Refraction: 1.669
Molar Refractivity: 131.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.58
ACD/KOC (pH 5.5): 248.50
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.58
ACD/KOC (pH 7.4): 248.50
Polar Surface Area: 142 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 67.0±3.0 dyne/cm
Molar Volume: 353.1±3.0 cm3

Click to predict properties on the Chemicalize site


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