Basic information
- CAS
23844-68-0- Standard SMILES
CN1C[C@@H](O)c2cc(O)ccc2[C@H]1C(=O)O- InChIKey
VSSKFNRRWHWEJV-ZJUUUORDSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- 4,6-Dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
- IUPAC
- (1S,4S)-4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
Names & synonyms
DTXSID309466494,6-Dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acidRefChem:1069498DTXCID001374927(1s,4s)-4,6-dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acidIsoquinaldic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, cis-Acide cis-dihydroxy-4,6 methyl-2 tetrahydro-1,2,3,4 isoquinoleine carboxylique-1 [French](1S,4S)-4,6-dihydroxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acidAcide cis-dihydroxy-4,6 methyl-2 tetrahydro-1,2,3,4 isoquinoleine carboxylique-1
Database identifiers
- CAS
23844-68-0- PubChem CID
- 212062
- DTXSID
DTXSID30946649
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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