ChemSpider 2D Image | Apterin | C20H24O10

Apterin

  • Molecular FormulaC20H24O10
  • Average mass424.399 Da
  • Monoisotopic mass424.136932 Da
  • ChemSpider ID26286869

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

2-[(8S,9R)-9-Hydroxy-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl]-2-propanyl β-D-glucopyranoside [ACD/IUPAC Name]
2-[(8S,9R)-9-Hydroxy-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-8-yl]-2-propanyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2H-Furo[2,3-h]-1-benzopyran-2-one, 8-[1-(β-D-glucopyranosyloxy)-1-methylethyl]-8,9-dihydro-9-hydroxy-, (8S,9R)- [ACD/Index Name]
Apterin [Wiki]
IN00308
β-D-Glucopyranoside de 2-[(8S,9R)-9-hydroxy-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromén-8-yl]-2-propanyle [French] [ACD/IUPAC Name]
2-[(8S,9R)-9-Hydroxy-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-yl β-D-glucopyranoside
53947-89-0 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 672.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 238.2±25.0 °C
Index of Refraction: 1.670
Molar Refractivity: 100.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.76
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.76
Polar Surface Area: 155 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 267.5±5.0 cm3

Click to predict properties on the Chemicalize site


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