| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 18 | No |
Popular Name: 7-ACA 7-ACA
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108260-00-0 , 1219345-59-1 , 68090-55-1 , 957-68-6
(6R,7R)-3-(acetoxymethyl)-7-azaniumyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-3-(acetyloxymethyl)-7-ammonio-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
3-Acetoxymethyl-7-amino-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7-Aminocephalosporanic acid, 98% (dry wt.), may cont. up to 2% water
ACETOXYMETHYLAMINOOXOTHIAAZABICYCLOOCTENECARBOXYLICACIDTRIFLUOROACET
ACETOXYMETHYLAMINOOXOTHIAAZABICYCLOOCTENECARBOXYLICACIDTRIFLUOROACETICACIDSAL
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.37 | 3.31 | -86.17 | 3 | 7 | 0 | 114 | 272.282 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.37 | 2.94 | -59.74 | 2 | 7 | -1 | 113 | 271.274 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | >300? | Alfa-Aesar |
| Melting_Point | >300° | Alfa-Aesar |
| Warnings | IRRITANT | Matrix Scientific |
