7-Aca
Properties
- Molecular formula
- C10H12N2O5S
- Molar mass
- 272.28 g/mol
- Exact mass
- 272.0467 Da
- logP
- -0.87Crippen estimate
- Polar surface area
- 109.9 Ų
- H-bond donors / acceptors
- 2 / 6
- Rotatable bonds
- 3
- Stereocentres
- R, Rin SMILES atom order
Identifiers
CAS number
957-68-6SMILES
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1InChIKey
HSHGZXNAXBPPDL-HZGVNTEJSA-NInChI
InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, (6R,7R)-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(hydroxymethyl)-8-oxo-, acetate (ester)
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-amino-8-oxo-, (6R-trans)-
- (6R,7R)-3-[(Acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 7-Aminocephalosporanic acid
- 3-Acetoxymethyl-7β-aminoceph-3-em-4-carboxylic acid
- 7β-Amino-3-acetoxymethylcephemcarboxylic acid
- 7-ACS
- 7-Amino-3-acetoxymethyl-3-cephem-4-carboxylic acid
- 7β-Aminocephalosporanic acid
- 3-Acetoxymethyl-7-aminoceph-3-em-4-carboxylic acid
- 7-Amino-3-acetoxymethyl-δ3-cephem-4-carboxylic acid
- (7R)-7-Aminocephalosporanic acid
- 3-(Acetoxymethyl)-7-aminocephem-4-carboxylic acid
Work with 7-Aca
Similar compounds
(6R,7R)-7-Amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid24701-69-773 % similar
(6R,7R)-7-Amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid15690-38-765 % similar
7-Aminodeacetoxycephalosporanic acid22252-43-363 % similar
7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid26395-99-363 % similar
(6R,7R)-7-Amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid53994-69-756 % similar
(6R,7R)-7-Amino-8-oxo-3-(1-propen-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid120709-09-355 % similar
Cephalothin153-61-754 % similar
Cefathiamidine33075-00-254 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds