ChemSpider 2D Image | (6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-[(Z)-2-(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2 -carboxylic acid | C23H22N6O10S2

(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-[(Z)-2-(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2 -carboxylic acid

  • Molecular FormulaC23H22N6O10S2
  • Average mass606.585 Da
  • Monoisotopic mass606.083862 Da
  • ChemSpider ID7851336

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-[(Z)-2-(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2- carbonsäure [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-[(Z)-2-(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2 -carboxylic acid [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]-1-oxoethyl]amino]-3-[(Z)-2-(1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)ethe nyl]-8-oxo-, (6R,7R)- [ACD/Index Name]
Acide (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acétyl]amino}-3-[(Z)-2-(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2 -ène-2-carboxylique [French] [ACD/IUPAC Name]
132182-62-8 [RN]
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-3-(2-(1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)ethenyl)-8-oxo-, (6R-(3(Z),6α,7β(Z)))-
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-3-((1Z)-2-(1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)ethenyl)-8-oxo-, (6R,7R)-
7-(2-(2-Aminothizol-4-yl)-2-(1-carboxy-1-methyl)ethoxyiminoacetamido)-3-(2-(1,5-dihdroxy-4-pyridon-2-yl)ethenyl)ceph-3-em-4-carboxylic acid

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

CP 6162 [DBID]
CP-6162 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.792
Molar Refractivity: 142.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -5.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 299 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 88.2±7.0 dyne/cm
Molar Volume: 335.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement