ChemSpider 2D Image | 1-O-[3-(1H-Imidazol-4-yl)propanimidoyl]-alpha-D-altropyranose | C12H19N3O6

1-O-[3-(1H-Imidazol-4-yl)propanimidoyl]-α-D-altropyranose

  • Molecular FormulaC12H19N3O6
  • Average mass301.296 Da
  • Monoisotopic mass301.127380 Da
  • ChemSpider ID28287453

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-O-[3-(1H-Imidazol-4-yl)propanimidoyl]-α-D-altropyranose [German] [ACD/IUPAC Name]
1-O-[3-(1H-Imidazol-4-yl)propanimidoyl]-α-D-altropyranose [ACD/IUPAC Name]
1-O-[3-(1H-Imidazol-4-yl)propanimidoyl]-α-D-altropyranose [French] [ACD/IUPAC Name]
α-D-Altropyranose, 1-O-[3-(1H-imidazol-4-yl)-1-iminopropyl]- [ACD/Index Name]
b-polybioside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 626.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.5±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.12
ACD/LogD (pH 5.5): -3.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 152 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 71.9±7.0 dyne/cm
Molar Volume: 177.1±7.0 cm3

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