Of 4949-F
9-amino-12-[carboxy(hydroxy)methyl]-4-hydroxy-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-1(19),3,5,7(22),17,20-hexaene-15-carboxylic acid
Also Known As: Of-4949F|Of 4949-F|9-Amino-12-[carboxy(hydroxy)methyl]-4-hydroxy-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-1(19),3,5,7(22),17,20-hexaene-15-carboxylic acid|9-Amino-15-carboxy-alpha,4-dihydroxy-10,13-dioxo-2-oxa-11,14-diazatricyclo(15.2.2.1(3,7))docosa-3,5,7(22),17,19,20-hexaene-12-acetic acid|11-Amino-8-[carboxy(hydroxy)methyl]-1~6~,7,10-trihydroxy-2-oxa-6,9-diaza-1(1,3),3(1,4)-dibenzenacyclododecaphane-6,9-diene-5-carboxylic acid|2-Oxa-11,14-diazatricyclo(15.2.2.1(3,7))docosa-3,5,7(22),17,19,20-hexaene-12-acetic acid, 9-amino-15-carboxy-alpha,4-dihydroxy-10,13-dioxo-|9-Amino-12-[carboxy(hydroxy)methyl]-4,10,13-trihydroxy-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,10,13,17,20-octaene-15-carboxylic acid
| Molecular Formula | C22H23N3O9 |
|---|---|
| Molecular Weight | 473.14343 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 473.14343 |
| Monoisotopic Mass | 473.14343 |
| Heavy Atoms | 34 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 93375-53-2 |
|---|---|
| SMILES | C1C(C(=O)NC(C(=O)NC(CC2=CC=C(C=C2)OC3=C(C=CC1=C3)O)C(=O)O)C(C(=O)O)O)N |
| InChIKey | COALYNPMIKPPCT-UHFFFAOYSA-N |
Product Overview
Of 4949-F (CAS 93375-53-2), with molecular formula C22H23N3O9 and molecular weight 473.14343 g/mol. IUPAC: 9-amino-12-[carboxy(hydroxy)methyl]-4-hydroxy-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-1(19),3,5,7(22),17,20-hexaene-15-carboxylic acid.