ChemSpider 2D Image | (1R,2S,3R)-1-[(2E)-2-(1,2-Oxazol-3(2H)-ylidene)-2H-imidazol-4-yl]-1,2,3,4-butanetetrol | C10H13N3O5

(1R,2S,3R)-1-[(2E)-2-(1,2-Oxazol-3(2H)-ylidene)-2H-imidazol-4-yl]-1,2,3,4-butanetetrol

  • Molecular FormulaC10H13N3O5
  • Average mass255.227 Da
  • Monoisotopic mass255.085526 Da
  • ChemSpider ID57558033

  • 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-[(2E)-2-(1,2-Oxazol-3(2H)-yliden)-2H-imidazol-4-yl]-1,2,3,4-butantetrol [German] [ACD/IUPAC Name]
(1R,2S,3R)-1-[(2E)-2-(1,2-Oxazol-3(2H)-ylidene)-2H-imidazol-4-yl]-1,2,3,4-butanetetrol [ACD/IUPAC Name]
(1R,2S,3R)-1-[(2E)-2-(1,2-Oxazol-3(2H)-ylidène)-2H-imidazol-4-yl]-1,2,3,4-butanetétrol [French] [ACD/IUPAC Name]
1,2,3,4-Butanetetrol, 1-[(2E)-2-(3(2H)-isoxazolylidene)-2H-imidazol-4-yl]-, (1R,2S,3R)- [ACD/Index Name]
(1R,2S,3R)-1-[(2E)-2-(1,2-Oxazol-3(2H)-ylidene)-2H-imidazol-4-yl]butane-1,2,3,4-tetrol
1055027-48-9 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 597.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.2±6.0 kJ/mol
Flash Point: 315.4±32.9 °C
Index of Refraction: 1.715
Molar Refractivity: 57.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -3.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 127 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 75.8±7.0 dyne/cm
Molar Volume: 146.4±7.0 cm3

Click to predict properties on the Chemicalize site


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