Basic information
- CAS
81619-12-7- Standard SMILES
O=C(O)[C@H](Cc1ccc(O)c(O)c1)NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O- InChIKey
AGBORSVUJCCVPV-KJXAWDOSSA-N- Molecular formula
- C15H21NO9
- Average molar mass
- 359.33 g/mol
- Monoisotopic mass
- 359.12163125
Overview
RN given refers to (S)-isomer; structure given in first source
Names & identifiers
- Preferred name
- desoxyfructo-L-DOPA
- IUPAC
- (2S)-3-(3,4-dihydroxyphenyl)-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
- English name
- desoxyfructo-L-DOPA
- Molecular formula
- C15H21NO9
- Molecular weight
- 359.32854
Names & synonyms
Deoxyfructose L-dopaDesoxyfructo-L-dopa81619-12-7RefChem:132289beta-D-Fructopyranose, 1-((1-carboxy-2-(3,4-dihydroxyphenyl)ethyl)amino)-1-deoxy-, (S)-(2S)-3-(3,4-dihydroxyphenyl)-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]propanoic acid
Database identifiers
- CAS
81619-12-7- PubChem CID
- 174242
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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