ChemSpider 2D Image | (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-isopropenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | C21H21N5O8S2

(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-isopropenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

  • Molecular FormulaC21H21N5O8S2
  • Average mass535.550 Da
  • Monoisotopic mass535.083130 Da
  • ChemSpider ID7851340

  • 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

(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl (6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-isopropenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl-(6R,7R)-7-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-isopropenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2E)-2-(2-Amino-1,3-thiazol-4-yl)-2-(méthoxyimino)acétyl]amino}-3-isopropényl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de (5-méthyl-2-oxo-1,3-dioxol-4-yl)méthyle [French] [ACD/IUPAC Name]
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)-1-oxoethyl]amino]-3-(1-methylethenyl)-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6R ,7R)- [ACD/Index Name]
(5-METHYL-2-OXO-1,3-DIOXOLEN-4-YL)METHYL 7-(2-(2-AMINO-4-THIAZOLE)-2-METHOXYIMINOACETAMIDO)-3-(2-ALLYL)-3-CEPHEM-4-CARBOXYLATE
(5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl 7-(2-(2-amino-4-thiazole)-2-methoxyiminoacetamido)-3-(2-pro
(5-Methyl-2-oxo-1,3-dioxolen-4-yl)methyl 7-(2-(2-amino-4-thiazole)-2-methoxyiminoacetamido)-3-(2-propenyl)-3-cephem-4-carboxylate
137778-06-4 [RN]
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(1-methylethenyl)-8-oxo-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester, (6R-(6α,7β(Z)))-
Mdatmc

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.737
Molar Refractivity: 128.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 16.57
ACD/KOC (pH 5.5): 259.46
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 13.94
ACD/KOC (pH 7.4): 218.26
Polar Surface Area: 225 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 68.1±7.0 dyne/cm
Molar Volume: 318.4±7.0 cm3

Click to predict properties on the Chemicalize site


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