Aldehydo-D-talose
Basic information
- CAS
2595-98-4- Standard SMILES
O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO- InChIKey
GZCGUPFRVQAUEE-KAZBKCHUSA-N- Molecular formula
- C6H12O6
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.0633881
Overview
Aldehydo-D-talose is D-Talose in its acyclic form.
Names & identifiers
- Preferred name
- Aldehydo-D-talose
- IUPAC
- (2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
- English name
- D-Talose
- Molecular formula
- C6H12O6
- Molecular weight
- 180.16
Names & synonyms
aldehydo-D-talose(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanalCHEBI:68461RefChem:10763248ZW23G7NVDEINECS 219-996-5MFCD00135834TALOSE, D-UNII-8ZW23G7NVDSCHEMBL37336GEO-04668AKOS024256927
Show more names
D-(+)-TALOSED-Talosedextro-taloseà-d-(+)-taloseD(+)-Talose,99%d-[4-13C]taloseD-(+)-Talose>d-[UL-13C6]talose
NSC 224293CS-0214426T72182Q423195A02CA752-AB99-4BBF-84BA-31F5846CA891NSC-224293orb2939498TYD-01103
Database identifiers
- CAS
2595-98-4- PubChem CID
- 99459
- DTXSID
DTXSID701318243- ChEBI
CHEBI:68461- UNII
- 8ZW23G7NVD
- Nikkaji
- J192.107J
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 124 · 124-127 °C
- Boiling point
- 232.96 °C · 232.96°C (rough estimate)
- Density
- 1.581 · 1.581
- refractive index
- 22 ° · 22 ° (C=1, H2O)
- storage temp.
- Room Temperature
- solubility
- 2 O: · H2O: 0.1 g/mL, clear, colorless
- form
- Solid
- pka
- 12.45 · 12.45±0.20(Predicted)
- color
- White
- optical activity
- 20 · [α]20/D +21±1°, 3 hr, c = 1% in H2O
- BRN
- 1724617 · 1724617
- InChI
- 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5+,6/m1/s1
- InChIKey
- WQZGKKKJIJFFOK-WHZQZERISA-N
- SMILES
- OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@H]1O
- LogP
- -3.17 · -3.170 (est)
- CAS DataBase Reference
- 2595 · 2595-98-4(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2940000080
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
UsesD-Talose is a monosaccharide sugar that can convert between aldose and ketose forms in pyridine in the presence of aluminum oxide.
Additional notes
DefinitionChEBI: Aldehydo-D-talose is d-Talose in its acyclic form.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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