ChemSpider 2D Image | (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-[({1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | C17H20N10O8S4

(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-[({1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

  • Molecular FormulaC17H20N10O8S4
  • Average mass620.663 Da
  • Monoisotopic mass620.034851 Da
  • ChemSpider ID7845553

  • 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-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-[({1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-3-[({1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-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-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-8-oxo-3-[[[1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-, (6R,7R)- [ACD/Index Name]
Acide (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-8-oxo-3-[({1-[2-(sulfoamino)éthyl]-1H-tétrazol-5-yl}sulfanyl)méthyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxyliqu e [French] [ACD/IUPAC Name]
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-3-(((1-(2-(sulfoamino)ethyl)-1H-tetrazol-5-yl)thio)methyl)-, (6R-(6α,7β(Z)))-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-3-[[[1-[2-(sulfoamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-, (6R,7R)-
7-((2-Amino-4-thiazolyl)(methoxyimino)acetylamino)-3-(((1-(2-sulfaminoethyl)-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid
7-((2-AMINO-THIAZOL-4-YL)(METHOXYIMINO)ACETYLAMINO)-3-(((1-(2-SULFAMINOETHYL)-1H-TETRAZOL-5-YL)THIO) METHYL)- 3-CEPHEM-4-CARBOXYLIC ACID
80994-53-2 [RN]
SK&F 88070
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS008373 [DBID]
AIDS-008373 [DBID]
Skf 88070 [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: 1.914
Molar Refractivity: 140.6±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -6.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 344 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 113.4±7.0 dyne/cm
Molar Volume: 298.8±7.0 cm3

Click to predict properties on the Chemicalize site


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