(7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6S)-4-(d
(7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C48H64N2O17 |
|---|---|
| Molecular Weight | 941.0 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 242.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 940.4205 |
| Heavy Atoms | 67 |
| Complexity | 1810.0 |
Chemical Identifiers
| CAS Number | 96497-67-5 |
|---|---|
| SMILES | CCC1(CC(C2=C(C1OC3CC(C(C(O3)C)O)N(C)C)C(=C4C(=C2O)C(=O)C5=C(C4=O)C=CC=C5O)O)OC6CC(C(C(O6)C)OC7CC8C(C(O7)C)OC9C(O8)CC(=O)C(O9)C)N(C)C)O |
| InChIKey | JXVAMODRWBNUSF-KZQKBALLSA-N |
📖 Product Overview
(7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6S)-4-(d (CAS: 96497-67-5) is a chemical compound with molecular formula C48H64N2O17 and molecular weight 941.0 g/mol. Its IUPAC systematic name is (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
JXVAMODRWBNUSF-KZQKBALLSA-N.
SMILES: CCC1(CC(C2=C(C1OC3CC(C(C(O3)C)O)N(C)C)C(=C4C(=C2O)C(=O)C5=C(C4=O)C=CC=C5O)O)OC6CC(C(C(O6)C)OC7CC8C(C(O7)C)OC9C(O8)CC(=O)C(O9)C)N(C)C)O.
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