ChemSpider 2D Image | 3,3-Dimethyl-2-oxobutyl (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 | C22H27N5O6S2

3,3-Dimethyl-2-oxobutyl (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 FormulaC22H27N5O6S2
  • Average mass521.610 Da
  • Monoisotopic mass521.140259 Da
  • ChemSpider ID7851339

  • 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-(méthoxyimino)acétyl]amino}-3-isopropényl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate de 3,3-diméthyl-2-oxobutyle [French] [ACD/IUPAC Name]
3,3-Dimethyl-2-oxobutyl (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]
3,3-Dimethyl-2-oxobutyl-(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]
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-, 3,3-dimethyl-2-oxobutyl ester, (6R,7R)- [ACD/Index Name]
137778-03-1 [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-, 3,3-dimethyl-2-oxobutyl ester, (6R-(6α,7β(Z)))-
Patmpc
PIVALOYLOXYMETHYL 7-(2-(2-AMINO-4-THIAZOLE)-2-METHOXYIMINOACETAMIDO)-3-(2-ALLYL)- 3-CEPHEM-4-CARBOXYLATE
pivaloyloxymethyl 7-(2-(2-amino-4-thiazole)-2-methoxyiminoacetamido)-3-(2-propenyl)-3-cephem-4-carbo
Pivaloyloxymethyl 7-(2-(2-amino-4-thiazole)-2-methoxyiminoacetamido)-3-(2-propenyl)-3-cephem-4-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 132.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.75
ACD/KOC (pH 5.5): 365.52
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 22.36
ACD/KOC (pH 7.4): 305.56
Polar Surface Area: 207 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 56.5±7.0 dyne/cm
Molar Volume: 353.7±7.0 cm3

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