Basic information
- CAS
91811-18-6- Standard SMILES
CC(=O)NC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(CO)C(O)C1O- InChIKey
MRKTUVZZZRUSQR-UHFFFAOYSA-N- Molecular formula
- C14H25NO11
- Average molar mass
- 383.35 g/mol
- Monoisotopic mass
- 383.14276061
Overview
from pregnancy urine
Names & identifiers
- Preferred name
- 1-O-alpha-2-acetamido-2-deoxygalactopyranosyl-inositol
- IUPAC
- N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexyl)oxyoxan-3-yl]acetamide
- English name
- 1-O-alpha-2-acetamido-2-deoxygalactopyranosyl-inositol
- Molecular formula
- C14H25NO11
- Molecular weight
- 383.3484
Names & synonyms
1-Adgmi91811-18-61-O-alpha-2-Acetamido-2-deoxygalactopyranosyl-inositol1-O-alpha-2-Acetamido-2-deoxygalactopyranosyl-myo-inositolRefChem:76677DTXSID809195052,3,4,5,6-Pentahydroxycyclohexyl 2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosidemyo-Inositol, 1-O-(2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl)-, (S)-
Database identifiers
- CAS
91811-18-6- PubChem CID
- 579
- DTXSID
DTXSID80919505
Properties
Computed structural properties
- XLogP
- -5.3
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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