ChemSpider 2D Image | 3-[({(Z)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(2S,3R)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino}-2-oxoethylidene]amino}oxy)methyl]-6,7-dioxo-1,4,6,7-tetrahydro-2-quinoxalinecarboxylic acid | C19H17N7O10S2

3-[({(Z)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(2S,3R)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino}-2-oxoethylidene]amino}oxy)methyl]-6,7-dioxo-1,4,6,7-tetrahydro-2-quinoxalinecarboxylic acid

  • Molecular FormulaC19H17N7O10S2
  • Average mass567.509 Da
  • Monoisotopic mass567.047852 Da
  • ChemSpider ID7851352

  • 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

2-Quinoxalinecarboxylic acid, 3-[[[[(1Z)-1-(2-amino-4-thiazolyl)-2-[[(2S,3R)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy]methyl]-1,4,6,7-tetrahydro-6,7-dioxo- [ACD/Index Name]
3-[({(Z)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(2S,3R)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino}-2-oxoethyliden]amino}oxy)methyl]-6,7-dioxo-1,4,6,7-tetrahydro-2-chinoxalincarbonsäure [German] [ACD/IUPAC Name]
3-[({(Z)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(2S,3R)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino}-2-oxoethylidene]amino}oxy)methyl]-6,7-dioxo-1,4,6,7-tetrahydro-2-quinoxalinecarboxylic acid [ACD/IUPAC Name]
Acide 3-[({(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-{[(2S,3R)-2-méthyl-4-oxo-1-sulfo-3-azétidinyl]amino}-2-oxoéthylidène]amino}oxy)méthyl]-6,7-dioxo-1,4,6,7-tétrahydro-2-quinoxalinecarboxylique [French] [ACD/IUPAC Name]
(2R-(2A,3A(Z)))-3-((((1-(2-AMINO-THIAZOL-4-YL)-2-((2-METHYL-4-OXO-1-SULFO-3-AZETIDINYL)AMINO)-2- OXOETHYLIDENE) AMINO)OXY)METHYL)-6,7-DIHYDROXY-2- QUINOXALINECARBOXYLIC ACID
142654-34-0 [RN]
2-Quinoxalinecarboxylic acid, 3-((((1-(2-amino-4-thiazolyl)-2-((2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino)-2-oxoethylidene)amino)oxy)methyl)-6,7-dihydroxy-, (2R-(2α,3α(Z)))-
3-((((1-(2-Amino-4-thiazolyl)-2-((2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino)-2-oxoethylidene)amino)oxy)methyl)-6,7-dihydroxy-2-quinoxalinecarboxylic acid (2R-(2α,3α(Z)))-
SQ 84,100

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

Bms 180680 [DBID]
Bms-180680 [DBID]

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: 1.873
Molar Refractivity: 125.8±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.15
ACD/LogD (pH 5.5): -6.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 296 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 108.0±7.0 dyne/cm
Molar Volume: 276.3±7.0 cm3

Click to predict properties on the Chemicalize site


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