ChemSpider 2D Image | {[(2S,3S)-3-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-methyl-4-oxo-1-azetidinyl]oxy}acetic acid | C12H15N5O6S

{[(2S,3S)-3-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-methyl-4-oxo-1-azetidinyl]oxy}acetic acid

  • Molecular FormulaC12H15N5O6S
  • Average mass357.342 Da
  • Monoisotopic mass357.074310 Da
  • ChemSpider ID24839893
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

{[(2S,3S)-3-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-methyl-4-oxo-1-azetidinyl]oxy}acetic acid [ACD/IUPAC Name]
{[(2S,3S)-3-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-methyl-4-oxo-1-azetidinyl]oxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[(2S,3S)-3-[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-2-methyl-4-oxo-1-azetidinyl]oxy]- [ACD/Index Name]
Acide {[(2S,3S)-3-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-2-méthyl-4-oxo-1-azétidinyl]oxy}acétique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.723
Molar Refractivity: 81.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -2.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 74.9±7.0 dyne/cm
Molar Volume: 205.4±7.0 cm3

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