Of 4949-II
9-amino-12-(2-amino-1-hydroxy-2-oxoethyl)-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 4949II|Of 4949-II|OF-4949II|OF4949 II|2-Oxa-11,14-diazatricyclo(15.2.2.1(sup 3,7))docosa-3,5,7(22),17,19,20-hexaene-15-carboxylic acid, 9-amino-12-(2-amino-1-hydroxy-2-oxoethyl)-10,13-dioxo-4-hydroxy-, (9S-(9R*,12R*(S*),15R*))-|9-amino-12-(2-amino-1-hydroxy-2-oxoethyl)-4-hydroxy-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxylic acid|11-Amino-8-(1,2-dihydroxy-2-iminoethyl)-1~6~,7,10-trihydroxy-2-oxa-6,9-diaza-1(1,3),3(1,4)-dibenzenacyclododecaphane-6,9-diene-5-carboxylic acid|9-Amino-12-(1,2-dihydroxy-2-iminoethyl)-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 | C22H24N4O8 |
|---|---|
| Molecular Weight | 472.15942 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 472.15942 |
| Monoisotopic Mass | 472.15942 |
| Heavy Atoms | 34 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 93375-50-9 |
|---|---|
| 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)N)O)N |
| InChIKey | BIINTWLXGRHBOS-UHFFFAOYSA-N |
Product Overview
Of 4949-II (CAS 93375-50-9), with molecular formula C22H24N4O8 and molecular weight 472.15942 g/mol. IUPAC: 9-amino-12-(2-amino-1-hydroxy-2-oxoethyl)-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.