ChemSpider 2D Image | 3-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2,2-dihydroxyvinyl)oxy]imino}acetyl]amino}-2-[(carbamoyloxy)methyl]-4-hydroxy-1(2H)-azetesulfonic acid | C12H14N6O10S2

3-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2,2-dihydroxyvinyl)oxy]imino}acetyl]amino}-2-[(carbamoyloxy)methyl]-4-hydroxy-1(2H)-azetesulfonic acid

  • Molecular FormulaC12H14N6O10S2
  • Average mass466.404 Da
  • Monoisotopic mass466.021271 Da
  • ChemSpider ID95568450

More details:

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

1(2H)-Azetesulfonic acid, 2-[[(aminocarbonyl)oxy]methyl]-3-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[[(2,2-dihydroxyethenyl)oxy]imino]-1-oxoethyl]amino]-4-hydroxy- [ACD/Index Name]
3-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2,2-dihydroxyvinyl)oxy]imino}acetyl]amino}-2-[(carbamoyloxy)methyl]-4-hydroxy-1(2H)-azetesulfonic acid [ACD/IUPAC Name]
3-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2,2-dihydroxyvinyl)oxy]imino}acetyl]amino}-2-[(carbamoyloxy)methyl]-4-hydroxy-1(2H)-azetsulfonsäure [German] [ACD/IUPAC Name]
Acide 3-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2,2-dihydroxyvinyl)oxy]imino}acétyl]amino}-2-[(carbamoyloxy)méthyl]-4-hydroxy-1(2H)-azètesulfonique [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.820
Molar Refractivity: 95.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -5.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 116.9±7.0 dyne/cm
Molar Volume: 218.6±7.0 cm3

Click to predict properties on the Chemicalize site


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