2-Methyl-5-HT
4-[[(3S,7R,14S)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-14-yl]oxy]-4-oxobutanoic acid
Also Known As: 2-Methyl-5-HT|Butanedioic acid, mono(1,2,3,6a,9a,11-hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-3-yl) ester, (3S-(3alpha,6aalpha,9aalpha))-|4-{[(3S,6aR,9aS)-4-Methoxy-1,11-dioxo-1,2,3,6a,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-3-yl]oxy}-4-oxobutanoic acid
| Molecular Formula | C21H16O10 |
|---|---|
| Molecular Weight | 428.07434 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.07434 |
| Monoisotopic Mass | 428.07434 |
| Heavy Atoms | 31 |
| Complexity | 904.0 |
Chemical Identifiers
| CAS Number | 78261-83-3 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)C[C@@H]3OC(=O)CCC(=O)O)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 |
| InChIKey | VKKLXWDQQNCHAY-PZLHRIISSA-N |
Product Overview
2-Methyl-5-HT (CAS 78261-83-3), with molecular formula C21H16O10 and molecular weight 428.07434 g/mol. IUPAC: 4-[[(3S,7R,14S)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-14-yl]oxy]-4-oxobutanoic acid.
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