3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid
Basic information
- CAS
27766-61-6- Standard SMILES
O=C(O)[C@@]1(O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O1- InChIKey
NNLZBVFSCVTSLA-HXUQBWEZSA-N- Molecular formula
- C8H14O8
- Average molar mass
- 238.19 g/mol
- Monoisotopic mass
- 238.0688674
Overview
3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid is the alpha-anomer of 3-deoxy-D-manno-oct-2-ulopyranosonic acid. It is a conjugate acid of a 3-deoxy-alpha-D-manno-oct-2-ulosonate.
Names & identifiers
- Preferred name
- 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid
- IUPAC
- (2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acid
- English name
- α-D-manno-2-Octulopyranosonic acid, 3-deoxy-
- Molecular formula
- C8H14O8
- Molecular weight
- 238.19
Names & synonyms
alpha-Kdoalpha-KDop3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acidCHEBI:43577alpha-2-keto-3-deoxyoctulosonic acid pyranoseRefChem:501056GlyTouCan:G34165VZG34165VZ27766-61-6(2R,4R,5R,6R)-6-((R)-1,2-Dihydroxyethyl)-2,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acidEpitope ID:130650SCHEMBL29398809
Show more names
α-D-manno-2-Octulopyranosonic acid, 3-deoxy-
DTXSID5012650683-deoxy-alpha-d-mannooctulosonic acidDB03548PD059614NS000700633-Deoxy-I+/--D-manno-2-octulopyranosonic acid
Database identifiers
- CAS
27766-61-6- PubChem CID
- 445569
- DTXSID
DTXSID501265068- ChEBI
CHEBI:43577- Nikkaji
- J1.103.859J
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 640.5 · 640.5±55.0 °C(Predicted)
- Density
- 1.835 · 1.835±0.06 g/cm3(Predicted)
- pka
- 2.34 · 2.34±0.70(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid is the alpha-anomer of 3-deoxy-D-manno-oct-2-ulopyranosonic acid. It is a conjugate acid of a 3-deoxy-alpha-D-manno-oct-2-ulosonate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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