ChemSpider 2D Image | 1,2-Dimethyl-4-oxo-1,4-dihydro-3-pyridinyl (5xi)-beta-L-lyxo-hexopyranosiduronic acid | C13H17NO8

1,2-Dimethyl-4-oxo-1,4-dihydro-3-pyridinyl (5ξ)-β-L-lyxo-hexopyranosiduronic acid

  • Molecular FormulaC13H17NO8
  • Average mass315.276 Da
  • Monoisotopic mass315.095428 Da
  • ChemSpider ID23976183

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1,2-Dimethyl-4-oxo-1,4-dihydro-3-pyridinyl (5ξ)-β-L-lyxo-hexopyranosiduronic acid [ACD/IUPAC Name]
1,2-Dimethyl-4-oxo-1,4-dihydro-3-pyridinyl-(5ξ)-β-L-lyxo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
4(1H)-Pyridinone, 3-[(5ξ)-β-L-lyxo-hexopyranuronosyloxy]-1,2-dimethyl- [ACD/Index Name]
Acide (5ξ)-β-L-lyxo-hexopyranosiduronique de 1,2-diméthyl-4-oxo-1,4-dihydro-3-pyridinyle [French] [ACD/IUPAC Name]
1,2-Dimethyl-4-oxo-1,4-dihydropyridin-3-yl (5ξ)-β-L-lyxo-hexopyranosiduronic acid
141612-87-5 [RN]
141675-48-1 [RN]
Deferiprone 3-O-?-D-Glucuronide
Methyl O-[5-acetamido-3,5-dideoxy-D-glycero-a-D-galacto-2-nonulopyranosylonic acid)-2-a-3-O-b-D-galactopyranosyl]-1-b-4-O-[(a-L-fuco pyranosyl)-1-a-3]-2-acetamido-2-deoxy-b-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: 603.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 318.7±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 71.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -3.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 81.7±5.0 dyne/cm
Molar Volume: 197.8±5.0 cm3

Click to predict properties on the Chemicalize site


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