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-({[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methyl](methyl)amino}methyl)-8-oxo-5-thia-1-azabicyclo
[4.2.0]oct-2-ene-2-carboxylic acid | C24H27N7O10S2

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

  • Molecular FormulaC24H27N7O10S2
  • Average mass637.642 Da
  • Monoisotopic mass637.126099 Da
  • ChemSpider ID7852700
  • 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-({[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methyl](methyl)amino}methyl)-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-({[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methyl](methyl)amino}methyl)-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-[[[(1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)methyl]m ethylamino]methyl]-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-({[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)méthyl](méthyl)amino}méthyl)-8-oxo-5-thia-1-azab icyclo[4.2.0]oct-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
141562-38-1 [RN]
5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLICACID,7-[[(2-AMINO-4-THIAZOLYL)[(1-CARBOXY-1-METHYLETHOXY)IMINO]ACETYL]AMINO]-3-[[[(1,4-DIHYDRO-1,5-DIHYDROXY-4-OXO-2-PYRIDINYL)METHYL]METHYLAMINO]METHYL]-8-OXO-,[6R-[6A,7B(Z)]]- (9CI)
7-((2-Aminothiazol-4-yl)-2-(1-carboxy-1-methyl)ethoxyiminoacetamido)-3-(N-(1,5-dihydroxy-4-pyridon-2-yl)methyl-N-methyl)aminomethyl-3-cephem-4-carboxylic acid

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

CP 6232 [DBID]
CP-6232 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.774
Molar Refractivity: 150.6±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.71
ACD/LogD (pH 5.5): -3.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 302 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 83.7±7.0 dyne/cm
Molar Volume: 361.0±7.0 cm3

Click to predict properties on the Chemicalize site





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