Basic information
- CAS
3019-74-7- Standard SMILES
OC[C@H]1OC(O)(CO)[C@@H](O)[C@H](O)[C@@H]1O- InChIKey
HAIWUXASLYEWLM-QTSLKERKSA-N- Molecular formula
- C7H14O7
- Average molar mass
- 210.18 g/mol
- Monoisotopic mass
- 210.07395278
Overview
See also: D-Sedoheptulose (annotation moved to); beta-D-sedoheptulopyranose (annotation moved to).
Names & identifiers
- Preferred name
- D-altro-Heptulose
- IUPAC
- (3S,4R,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
- English name
- D-altro-2-heptulose
- Molecular formula
- C7H14O7
- Molecular weight
- 210.18
Names & synonyms
D-altro-HeptuloseC02076AC1L97R2Hept-2-ulopyranoseD-altro-Hept-2-ulopyranoseSureCN7156313SCHEMBL7156313DTXSID10952581(3S,4R,5S,6R)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol(3S,4R,5S,6R)-2,6-bis(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrolSedoheptuloseVolemulose
Show more names
D-SedoheptuloseAltro-heptuloseD-altro-2-heptuloseD-Sedoheptulose(3S,4R,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one(3S,4R,5R,6R)-1,3,4,5,6,7-Hexahydroxyheptan-2-one (>90%)
Database identifiers
- CAS
3019-74-7- PubChem CID
- 439645
- DTXSID
DTXSID10952581
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
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
- InChIKey
- HSNZZMHEPUFJNZ-SHUUEZRQSA-N
- SMILES
- OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO || OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO
- FDA UNII
- 40 A0W1XJ6X · 40A0W1XJ6X
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
- wgk
- 3
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Suppliers6 total
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: Sedoheptulose is a ketoheptose.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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