ChemSpider 2D Image | LX2932 | C10H13N3O5

LX2932

  • Molecular FormulaC10H13N3O5
  • Average mass255.227 Da
  • Monoisotopic mass255.085526 Da
  • ChemSpider ID26614599
  • 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-(1,2-Oxazol-3-yl)-1H-imidazol-4-yl]-1,2,3,4-butanetetrol [ACD/IUPAC Name]
(1R,2S,3R)-1-[2-(1,2-Oxazol-3-yl)-1H-imidazol-4-yl]-1,2,3,4-butanetétrol [French] [ACD/IUPAC Name]
(1R,2S,3R)-1-[2-(1,2-Oxazol-3-yl)-1H-imidazol-4-yl]-1,2,3,4-butantetrol [German] [ACD/IUPAC Name]
1,2,3,4-Butanetetrol, 1-[2-(3-isoxazolyl)-1H-imidazol-4-yl]-, (1R,2S,3R)- [ACD/Index Name]
1055027-48-9 [RN]
LX2932
(1R,2S,3R)-1-(2-(Isoxazol-3-yl)-1H-imidazol-5-yl)butane-1,2,3,4-tetraol
1,2,3,4-Butanetetrol, 1-[2-(3-isoxazolyl)-1H-imidazol-5-yl]-, (1R,2S,3R)-
LX-2932
MFCD22495384 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 725.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.6±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 58.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -3.47
ACD/LogD (pH 5.5): -2.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): -2.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 136 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 95.5±3.0 dyne/cm
Molar Volume: 159.6±3.0 cm3

Click to predict properties on the Chemicalize site






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