benzyl-[2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-propan-2-ylazanium2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
benzyl-[2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-propan-2-ylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
| Molecular Formula | C31H35NO13 |
|---|---|
| Molecular Weight | 629.6 g/mol |
| Topological Polar Surface Area | 229.0 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 629.2108 |
| Heavy Atoms | 45 |
| Complexity | 885.0 |
Chemical Identifiers
| CAS Number | 37855-77-9 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(C(=C2O1)OCC(C[NH+](CC4=CC=CC=C4)C(C)C)O)OC=CC3=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | DATKQKVGXFCKFD-UHFFFAOYSA-N |
📖 Product Overview
benzyl-[2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-propan-2-ylazanium2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate (CAS: 37855-77-9) is a chemical compound with molecular formula C31H35NO13 and molecular weight 629.6 g/mol. Its IUPAC systematic name is benzyl-[2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-propan-2-ylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate.
DATKQKVGXFCKFD-UHFFFAOYSA-N.
SMILES: CC1=CC2=C(C3=C(C(=C2O1)OCC(C[NH+](CC4=CC=CC=C4)C(C)C)O)OC=CC3=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O.
Frequently Asked Questions
📚 Academic Support
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Technical Blog Article
Multi-source research profile: chemical properties, regulatory status, and sourcing guide for benzyl-[2-hydroxy-3-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-propan-2-ylazanium2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate.
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