ChemSpider 2D Image | balsaminone B | C27H22O10

balsaminone B

  • Molecular FormulaC27H22O10
  • Average mass506.458 Da
  • Monoisotopic mass506.121307 Da
  • ChemSpider ID8990747

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

6-Methoxy-7,12-dioxo-7,12-dihydrodinaphtho[1,2-b:2',3'-d]furan-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
6-Methoxy-7,12-dioxo-7,12-dihydrodinaphtho[1,2-b:2',3'-d]furan-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
balsaminone B
Dinaphtho[1,2-b:2',3'-d]furan-7,12-dione, 5-(β-D-glucopyranosyloxy)-6-methoxy- [ACD/Index Name]
β-D-Glucopyranoside de 6-méthoxy-7,12-dioxo-7,12-dihydrodinaphto[1,2-b:2',3'-d]furan-5-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463739/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 792.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 432.8±32.9 °C
Index of Refraction: 1.736
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.75
ACD/KOC (pH 5.5): 136.56
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.75
ACD/KOC (pH 7.4): 136.56
Polar Surface Area: 156 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 81.9±3.0 dyne/cm
Molar Volume: 321.2±3.0 cm3

Click to predict properties on the Chemicalize site


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