ChemSpider 2D Image | ANDROGRAPHIDIN A | C23H26O10

ANDROGRAPHIDIN A

  • Molecular FormulaC23H26O10
  • Average mass462.447 Da
  • Monoisotopic mass462.152588 Da
  • ChemSpider ID32700075

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-7,8-Dimethoxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-5-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2S)-7,8-Dimethoxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-5-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
113963-37-4 [RN]
4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-2,3-dihydro-7,8-dimethoxy-2-phenyl-, (2S)- [ACD/Index Name]
ANDROGRAPHIDIN A
β-D-Glucopyranoside de (2S)-7,8-diméthoxy-4-oxo-2-phényl-3,4-dihydro-2H-chromén-5-yle [French] [ACD/IUPAC Name]
(2S)-5-(β-D-Glucopyranosyloxy)-7,8-dimethoxyflavanone
(2S)-7,8-dimethoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
4H-1-BENZOPYRAN-4-ONE, 5-(B-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDRO-7,8-DIMETHOXY-2-PHENYL-,(2S)-
Andrographidine A

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

KD098V596T [DBID]
UNII:KD098V596T [DBID]
UNII-KD098V596T [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 746.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 258.8±26.4 °C
Index of Refraction: 1.621
Molar Refractivity: 113.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 53.87
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.84
ACD/KOC (pH 7.4): 53.86
Polar Surface Area: 144 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 323.1±3.0 cm3

Click to predict properties on the Chemicalize site


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