ChemSpider 2D Image | (6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-({[(3R)-1-(2-chloro-3,4-dihydroxybenzoyl)-3-pyrrolidinyl](dimethyl)ammonio}methyl)-8-oxo-5-thia-1-azab icyclo[4.2.0]oct-2-ene-2-carboxylate | C30H34ClN7O10S2

(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-({[(3R)-1-(2-chloro-3,4-dihydroxybenzoyl)-3-pyrrolidinyl](dimethyl)ammonio}methyl)-8-oxo-5-thia-1-azab icyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC30H34ClN7O10S2
  • Average mass752.215 Da
  • Monoisotopic mass751.149719 Da
  • ChemSpider ID90634552

  • defined stereocentres - 3 of 3 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-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-({[(3R)-1-(2-chlor-3,4-dihydroxybenzoyl)-3-pyrrolidinyl](dimethyl)ammonio}methyl)-8-oxo-5-thia-1-azabi cyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-({[(3R)-1-(2-chloro-3,4-dihydroxybenzoyl)-3-pyrrolidinyl](dimethyl)ammonio}methyl)-8-oxo-5-thia-1-azab icyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acétyl]amino}-3-({[(3R)-1-(2-chloro-3,4-dihydroxybenzoyl)-3-pyrrolidinyl](diméthyl)ammonio}méthyl)-8-oxo-5-thia-1-azab icyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-3-methanaminium, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]-1-oxoethyl]amino]-2-carboxy-N-[(3R)-1-(2-chloro-3,4-dihydroxybenzoyl)-3-pyrrol idinyl]-N,N-dimethyl-8-oxo-, inner salt, (6R,7R)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.49
ACD/LogD (pH 5.5): -3.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 302 Å2
Polarizability:
Surface Tension:
Molar Volume:

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