ChemSpider 2D Image | ({(E)-[1-(2-Amino-1,3-thiazol-4-yl)-2-({(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfo-3-azetidinyl}amino)-2-oxoethylidene]amino}oxy)acetic acid | C12H14N6O10S2

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

  • Molecular FormulaC12H14N6O10S2
  • Average mass466.404 Da
  • Monoisotopic mass466.021271 Da
  • ChemSpider ID24825351

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

({(E)-[1-(2-Amino-1,3-thiazol-4-yl)-2-({(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfo-3-azetidinyl}amino)-2-oxoethyliden]amino}oxy)essigsäure [German] [ACD/IUPAC Name]
({(E)-[1-(2-Amino-1,3-thiazol-4-yl)-2-({(2S,3S)-2-[(carbamoyloxy)methyl]-4-oxo-1-sulfo-3-azetidinyl}amino)-2-oxoethylidene]amino}oxy)acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[[[(1E)-2-[[(2S,3S)-2-[[(aminocarbonyl)oxy]methyl]-4-oxo-1-sulfo-3-azetidinyl]amino]-1-(2-amino-4-thiazolyl)-2-oxoethylidene]amino]oxy]- [ACD/Index Name]
Acide ({(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-({(2S,3S)-2-[(carbamoyloxy)méthyl]-4-oxo-1-sulfo-3-azétidinyl}amino)-2-oxoéthylidène]amino}oxy)acétique [French] [ACD/IUPAC Name]
87638-04-8 [RN]
Carumonam [Wiki]

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: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -2.26
ACD/LogD (pH 5.5): -7.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 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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