Basic information
- Standard SMILES
COC(=O)c1cccc(NCc2ccc(CO)o2)c1C(=O)OC- InChIKey
UPFVWOHVUXLBHG-UHFFFAOYSA-N- Molecular formula
- C16H17NO6
- Average molar mass
- 319.31 g/mol
Names & identifiers
- Preferred name
- 3-[(5-Hydroxymethyl-furan-2-ylmethyl)-amino]-phthalic acid dimethyl ester
- IUPAC
- dimethyl 3-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzene-1,2-dicarboxylate
Names & synonyms
SCHEMBL2383542UPFVWOHVUXLBHG-UHFFFAOYSA-N3-[(5-Hydroxymethyl-furan-2-ylmethyl)-amino]-phthalic acid dimethyl ester
Database identifiers
- PubChem CID
- 21040137
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Related reactions
6 records
Compound notes
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