Basic information
- CAS
16656-02-3- Standard SMILES
O=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O- InChIKey
FQNLKWXILWAYPZ-RMJYWKLSSA-N- Molecular formula
- C8H18O14P2
- Average molar mass
- 400.17 g/mol
- Monoisotopic mass
- 400.01717924
Overview
D-glycero-D-altro-octulose-1,8-bisphosphate is a ketooctose derivative that is D-glycero-D-altro-octulose carrying two phosphate substituents at positions 1 and 8. It is a ketose phosphate and a ketooctose derivative.
Names & identifiers
- Preferred name
- D-glycero-D-altro-Octulose 1,8-bisphosphate
- IUPAC
- [(2S,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxyoctyl] dihydrogen phosphate
Names & synonyms
D-glycero-D-altro-Octulose 1,8-bisphosphateRefChem:91956116656-02-3D-glycero-D-altro-octulose-1,8-bisphosphateD-glycero-D-altro-2-Octulose, 1,8-bis(dihydrogen phosphate)1,8-di-o-phosphono-l-glycero-d-altro-oct-2-ulose[(2S,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxy-7-oxo-8-phosphonooxyoctyl] dihydrogen phosphateCHEBI:778541,8-Di-O-phosphonooct-2-uloseDTXSID10937217Q27147462(2S,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxy-7-oxo-8-(phosphonooxy)octyl dihydrogen phosphate
Database identifiers
- CAS
16656-02-3- PubChem CID
- 130470
- DTXSID
DTXSID10937217- ChEBI
CHEBI:77854
Properties
Computed structural properties
- XLogP
- -6.7
- Topological polar surface area
- 252 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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