D-Sedoheptulose
Basic information
- CAS
3019-74-7- Standard SMILES
O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO- InChIKey
HSNZZMHEPUFJNZ-SHUUEZRQSA-N- Molecular formula
- C7H14O7
- Average molar mass
- 210.18 g/mol
- Monoisotopic mass
- 210.07395278
Overview
Sedoheptulose is a ketoheptose.
Names & identifiers
- Preferred name
- D-Sedoheptulose
- IUPAC
- (3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one
- English name
- D-altro-2-heptulose
- Molecular formula
- C7H14O7
- Molecular weight
- 210.18
Names & synonyms
SedoheptuloseD-sedoheptuloseD-Altro-2-heptulose3019-74-7(3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-oneD-altro-hept-2-ulose40A0W1XJ6XCHEBI:16802RefChem:182229GlyTouCan:G89239JXG89239JX221-166-2
Show more names
C02076Altro-heptulose(3S,4R,5R,6R)-1,3,4,5,6,7-Hexahydroxyheptan-2-one (>90%)
VolemuloseD-MannoheptuloseD-altroheptuloseEINECS 221-166-2UNII-40A0W1XJ6XSCHEMBL119427HSNZZMHEPUFJNZ-SHUUEZRQSA-ND-Sedoheptulose, >=95% (TLC)
Database identifiers
- CAS
3019-74-7- PubChem CID
- 5459879
- ChEBI
CHEBI:16802- UNII
- 40A0W1XJ6X
- EC Number
- 221-166-2
- Nikkaji
- J14.590D
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Experimental & physicochemical properties
Collision Cross Section145.5 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
Physicochemical properties
- Melting point
- 249 °C · 249 °C
- Boiling point
- 628 · 628.0±55.0 °C(Predicted)
- Density
- 1.645 · 1.645±0.06 g/cm3(Predicted)
- Flash point
- Not applicable
- storage temp.
- 2 · 2-8°C
- solubility
- Easily soluble (water), slightly soluble (ethanol)
- pka
- 11.86 · 11.86±0.20(Predicted)
- form
- liquid or solid semi solid, viscous liquid
- color
- beige to very dark red-brown
- optical activity
- 2.5 · +2.5
- BRN
- 1726427 · 1726427
- InChI
- 1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7-/m1/s1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationD-altro-2-Heptulose: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- wgk
- 3
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Additional notes
DefinitionChEBI: Sedoheptulose is a ketoheptose.
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Compound notes
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