Basic information
- CAS
29864-55-9- Standard SMILES
CC(O)C(O)C(O)C(O)C(O)C=O- InChIKey
NUYNQYILQHTROB-UHFFFAOYSA-N- Molecular formula
- C7H14O6
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.07903816
Names & identifiers
- Preferred name
- 7-Deoxyheptose
- IUPAC
- 2,3,4,5,6-pentahydroxyheptanal
- English name
- 7-Deoxy-D-glycero-D-gluco-heptose
- Molecular formula
- C7H14O6
- Molecular weight
- 194.18
Names & synonyms
7-DeoxyheptoseDTXSID60952319RefChem:1074415DTXCID60101904629864-55-9Antibiotic SF 666Antibiotic SF 666A7-Deoxy-D-glycero-D-gluco-heptoseSF-666-ASF-666D-glycero-D-gluco-HEPTOSE, 7-DEOXY-SCHEMBL28165289
Show more names
SF-666AAntibiotic SF-666Antibiotic SF-666A
Database identifiers
- CAS
29864-55-9- PubChem CID
- 34747
- DTXSID
DTXSID60952319
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 160 · 160-170 °C (decomp)
- Boiling point
- 504.118 · 504.118±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.484 · 1.484±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.463 · 12.463±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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