ChemSpider 2D Image | LX-2931 | C9H15N3O5

LX-2931

  • Molecular FormulaC9H15N3O5
  • Average mass245.232 Da
  • Monoisotopic mass245.101166 Da
  • ChemSpider ID26628206

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,3R)-1-{2-[(1E)-N-Hydroxyethanimidoyl]-1H-imidazol-4-yl}-1,2,3,4-butanetetrol [ACD/IUPAC Name]
(1R,2S,3R)-1-{2-[(1E)-N-Hydroxyethanimidoyl]-1H-imidazol-4-yl}-1,2,3,4-butanetétrol [French] [ACD/IUPAC Name]
(1R,2S,3R)-1-{2-[(1E)-N-Hydroxyethanimidoyl]-1H-imidazol-4-yl}-1,2,3,4-butantetrol [German] [ACD/IUPAC Name]
948840-25-3 [RN]
C5AGI979T7
Ethanone, 1-[4-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-imidazol-2-yl]-, oxime, (1E)- [ACD/Index Name]
LX-2931
LX2931
UNII:C5AGI979T7

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

Density: 1.6±0.1 g/cm3
Boiling Point: 672.9±65.0 °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: 360.7±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 54.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -3.21
ACD/LogD (pH 5.5): -2.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 142 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 68.1±7.0 dyne/cm
Molar Volume: 148.7±7.0 cm3

Click to predict properties on the Chemicalize site


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