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Chemical structure of 7-Aminodeacetoxycephalosporanic acid

GC60536

7-Aminodeacetoxycephalosporanic acid

Also known as (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

7-Aminodeacetoxycephalosporanic acid (7-ADCA) is a key intermediate in the synthesis of cephalosporins

ChemicalCAS22252-43-3MW214.24FormulaC8H10N2O3S
CAS number
22252-43-3
Molecular weight
214.24
Formula
C8H10N2O3S
Solubility
Water： 41·67 mg/mL (194·50 mM; ultrasonic and adjust pH to 10 with NaOH)
InChIKey
NVIAYEIXYQCDAN-CLZZGJSISA-N
Catalogue number
GC60536
Brand
GLPBIO
Computed properties PubChem CID 33498 · XLogP -3.1 · TPSA 109 Ų · H-bond donors 2
XLogP
-3.1
TPSA
109 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
14

SMILES CC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O

Computed descriptors from PubChem (CID 33498), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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