ChemSpider 2D Image | (2S)-3-{[(3-Amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]amino}-2-hydroxypropanoic acid | C7H11N3O6S

(2S)-3-{[(3-Amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]amino}-2-hydroxypropanoic acid

  • Molecular FormulaC7H11N3O6S
  • Average mass265.244 Da
  • Monoisotopic mass265.036865 Da
  • ChemSpider ID75519986

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-{[(3-Amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]amino}-2-hydroxypropanoic acid [ACD/IUPAC Name]
(2S)-3-{[(3-Amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]amino}-2-hydroxypropansäure [German] [ACD/IUPAC Name]
Acide (2S)-3-{[(3-amino-5-méthyl-1,2-oxazol-4-yl)sulfonyl]amino}-2-hydroxypropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[(3-amino-5-methyl-4-isoxazolyl)sulfonyl]amino]-2-hydroxy-, (2S)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 623.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 330.9±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 54.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.38
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): -4.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 84.8±3.0 dyne/cm
Molar Volume: 160.1±3.0 cm3

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