ChemSpider 2D Image | Flavocommelin | C28H32O15

Flavocommelin

  • Molecular FormulaC28H32O15
  • Average mass608.545 Da
  • Monoisotopic mass608.174133 Da
  • ChemSpider ID4476234

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-{2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl}-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-chromen-6-yl}-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-{2-[4-(β-D-glucopyranosyloxy)phényl]-5-hydroxy-7-méthoxy-4-oxo-4H-chromén-6-yl}-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-6-yl]-, (1S)- [ACD/Index Name]
Flavocommelin
16049-42-6 [RN]
4'-β-D-Glucopyranoside flavocommelitin
6-β-D-Glucopyranosyl-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Flavocommelitin 4'-β-D-glucopyranoside
Swertisin 4'-β-D-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: 892.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.9±3.0 kJ/mol
Flash Point: 293.6±27.8 °C
Index of Refraction: 1.694
Molar Refractivity: 142.3±0.3 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.55
ACD/LogD (pH 7.4): -2.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 91.0±3.0 dyne/cm
Molar Volume: 370.6±3.0 cm3

Click to predict properties on the Chemicalize site


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