O-[2-(Acetylamino)-2-deoxy-3-O-I(2)-D-galactopyranosyl-I(2)-D-galactopyranosyl]-L-serine
Basic information
- CAS
105817-15-0- Standard SMILES
CC(=O)N[C@H]1[C@H](OC[C@H](N)C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
XDMCWZFLLGVIID-GYLMZYTBSA-N- Molecular formula
- C17H30N2O13
- Average molar mass
- 470.4 g/mol
- Monoisotopic mass
- 470.17478902
Names & identifiers
- Preferred name
- O-[2-(Acetylamino)-2-deoxy-3-O-I(2)-D-galactopyranosyl-I(2)-D-galactopyranosyl]-L-serine
- IUPAC
- (2S)-3-[(2R,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-aminopropanoic acid
Names & synonyms
DTXSID301131920105817-15-0O-[2-(Acetylamino)-2-deoxy-3-O-I(2)-D-galactopyranosyl-I(2)-D-galactopyranosyl]-L-serine(2S)-3-{[(2R,3R,4R,5R,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-aminopropanoic acid
Database identifiers
- CAS
105817-15-0- PubChem CID
- 440475
- DTXSID
DTXSID301131920- Nikkaji
- J1.455.439D
Properties
Computed structural properties
- XLogP
- -7.2
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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