Basic information
- CAS
104874-61-5- Standard SMILES
CO[C@@H]1O[C@@H](C)[C@H](O)[C@@](C)(O)[C@H]1O- InChIKey
HOJMKDURBMYBFR-QYYLWSOASA-N- Molecular formula
- C8H16O5
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.09977361
Overview
structure given in first source
Names & identifiers
- Preferred name
- Methyl 6-deoxy-3-methylmannopyranoside
- IUPAC
- (2R,3R,4R,5S,6S)-2-methoxy-4,6-dimethyloxane-3,4,5-triol
- English name
- methyl 6-deoxy-3-methylmannopyranoside
- Molecular formula
- C8H16O5
- Molecular weight
- 192.21
Names & synonyms
Methyl 6-deoxy-3-methylmannopyranosideMethyl evalopyranoside104874-61-5DTXSID10146802RefChem:157722DTXCID1069293Methyl 6-deoxy-3-C-methyl-alpha-L-mannopyranosideα-L-Mannopyranoside, methyl 6-deoxy-3-C-methyl-
Database identifiers
- CAS
104874-61-5- PubChem CID
- 196385
- DTXSID
DTXSID10146802- Nikkaji
- J2.598.090E
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 308.285 · 308.285±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.277 · 1.277±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.067 · 13.067±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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