(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-3-tritiohexanal
Basic information
- CAS
2535-38-8- Standard SMILES
[3H][C@](O)([C@H](O)[C@H](O)CO)[C@@H](O)C=O- InChIKey
GZCGUPFRVQAUEE-NKKIJKBOSA-N- Molecular formula
- C6H12O6
- Average molar mass
- 182.16 g/mol
- Monoisotopic mass
- 182.07161235
Names & identifiers
- Preferred name
- (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-3-tritiohexanal
- IUPAC
- (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-3-tritiohexanal
- English name
- GLUCOSE, D-[3-3H]-
- Molecular formula
- C6H11O6T
- Molecular weight
- 182.16
Names & synonyms
D-Glucose-3-t2535-38-8D-(3-3H)Glucose(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-3-tritiohexanal(C~3~-~3~H)HexoseD-(C~3~-~3~H)GlucoseSCHEMBL29427800DTXSID20948192(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(3-?H)hexanalD-[3-3H]GLUCOSEGLUCOSE, D-[3-3H]-D-GLUCOSE, [3-3H]-
Database identifiers
- CAS
2535-38-8- PubChem CID
- 134512
- DTXSID
DTXSID20948192
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
- Specific Activity
- 10 · 10-20 Ci/mmol
- Concentration
- 1 mCi/ml · 1 mCi/ml
- Solvent
- Ethanol:water (9:1)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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