Pradimicin FA 2
2-[[5-[5-amino-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid
| Molecular Formula | C39H42N2O19 |
|---|---|
| Molecular Weight | 842.8 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 355.0 A2 |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 842.23816 |
| Heavy Atoms | 60 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 131443-10-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(CO)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)O)O)O)N |
| InChIKey | JNJSOWKXFVKKCL-UHFFFAOYSA-N |
📖 Product Overview
Pradimicin FA 2 (CAS: 131443-10-2) is a chemical compound with molecular formula C39H42N2O19 and molecular weight 842.8 g/mol. Its IUPAC systematic name is 2-[[5-[5-amino-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]-3-hydroxypropanoic acid.
JNJSOWKXFVKKCL-UHFFFAOYSA-N.
SMILES: CC1C(C(C(C(O1)OC2C(C3=CC4=C(C(=C3C5=C2C=C(C(=C5O)C(=O)NC(CO)C(=O)O)C)O)C(=O)C6=C(C4=O)C(=CC(=C6)OC)O)O)O)OC7C(C(C(CO7)O)O)O)N.
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