ChemSpider 2D Image | PHENOLPHTHALEIN DIGLUCURONOSIDE | C32H30O16

PHENOLPHTHALEIN DIGLUCURONOSIDE

  • Molecular FormulaC32H30O16
  • Average mass670.571 Da
  • Monoisotopic mass670.153381 Da
  • ChemSpider ID32697478

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1(3H)-Isobenzofuranone, 3,3-bis[4-(β-D-glucopyranuronosyloxy)phenyl]- [ACD/Index Name]
4-{1-[4-(β-D-Glucopyranuronosyloxy)phenyl]-3-oxo-1,3-dihydro-2-benzofuran-1-yl}phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-{1-[4-(β-D-Glucopyranuronosyloxy)phenyl]-3-oxo-1,3-dihydro-2-benzofuran-1-yl}phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
84755-69-1 [RN]
Acide β-D-glucopyranosiduronique de 4-{1-[4-(β-D-glucopyranuronosyloxy)phényl]-3-oxo-1,3-dihydro-2-benzofuran-1-yl}phényle [French] [ACD/IUPAC Name]
PHENOLPHTHALEIN DIGLUCURONOSIDE

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

094EWY68HG [DBID]
UNII:094EWY68HG [DBID]
UNII-094EWY68HG [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1008.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.1±3.0 kJ/mol
Flash Point: 326.0±27.8 °C
Index of Refraction: 1.718
Molar Refractivity: 155.5±0.3 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -6.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 259 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 100.2±3.0 dyne/cm
Molar Volume: 394.4±3.0 cm3

Click to predict properties on the Chemicalize site


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