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Substance Name: (6R-(6alpha,7beta))-3-(Acetoxymethyl)-7-(hydroxyphenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
RN: 27910-26-5
InChIKey: CNAGMNMBHMQZPF-UHFFFAOYSA-N

Molecular Formula

  • C18-H18-N2-O7-S

Molecular Weight

  • 406.4132
 
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Names and Synonyms

Synonym

  • EINECS 248-723-2

Systematic Name

  • (6R-(6alpha,7beta))-3-(Acetoxymethyl)-7-(hydroxyphenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

Registry Numbers

CAS Registry Number

  • 27910-26-5

System Generated Number

  • 0027910265

Structure Descriptors

InChI

1S/C18H18N2O7S/c1-9(21)27-7-11-8-28-17-12(16(24)20(17)13(11)18(25)26)19-15(23)14(22)10-5-3-2-4-6-10/h2-6,12,14,17,22H,7-8H2,1H3,(H,19,23)(H,25,26)

InChIKey

CNAGMNMBHMQZPF-UHFFFAOYSA-N

Smiles

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(c3ccccc3)O)SC1)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.44 (none)   EXP
Water Solubility 325 mg/L 25 EST
Vapor Pressure 2.08E-18 mm Hg 25 EST
Henry's Law Constant 5.00E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.25E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.