methyl 3-O-talopyranosyltalopyranoside
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Basic information
- CAS
114375-71-2- Standard SMILES
CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O- InChIKey
WOKXHOIRHHAHDA-PMZMBPQZSA-N- Molecular formula
- C13H24O11
- Average molar mass
- 356.32 g/mol
- Monoisotopic mass
- 356.13186158
Names & identifiers
- Preferred name
- methyl 3-O-talopyranosyltalopyranoside
- IUPAC
- (2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- methyl 3-O-talopyranosyltalopyranoside
- Molecular formula
- C13H24O11
- Molecular weight
- 356.32
Names & synonyms
Methyl 3-O-talopyranosyltalopyranoside114375-71-2M 3-O-TTMethyl 3-O-alpha-D-talopyranosyl-alpha-D-talopyranosideDTXSID40150715RefChem:157522DTXCID9073206(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolα-D-Talopyranoside, methyl 3-O-α-D-talopyranosyl-
Database identifiers
- CAS
114375-71-2- PubChem CID
- 196695
- DTXSID
DTXSID40150715
Properties
Computed structural propertiesFilling in
- XLogP
- -3.6
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 669.23 · 669.230±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.63 · 1.630±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.707 · 12.707±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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