Uroporphyrin I octamethyl ester
methyl 3-[3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate
| Molecular Formula | C48H54N4O16 |
|---|---|
| Molecular Weight | 943.0 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 268.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 28 |
| Exact Mass | 942.35345 |
| Heavy Atoms | 68 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 10170-03-3 |
|---|---|
| SMILES | COC(=O)CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC(=O)OC)CCC(=O)OC)C(=C4CCC(=O)OC)CC(=O)OC)C(=C3CCC(=O)OC)CC(=O)OC)CC(=O)OC |
| InChIKey | KBKZLUAVUDHBNV-UHFFFAOYSA-N |
📖 Product Overview
Uroporphyrin I octamethyl ester (CAS: 10170-03-3) is a chemical compound with molecular formula C48H54N4O16 and molecular weight 943.0 g/mol. Its IUPAC systematic name is methyl 3-[3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate.
KBKZLUAVUDHBNV-UHFFFAOYSA-N.
SMILES: COC(=O)CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC(=O)OC)CCC(=O)OC)C(=C4CCC(=O)OC)CC(=O)OC)C(=C3CCC(=O)OC)CC(=O)OC)CC(=O)OC.
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