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4-Carboxyarabinitol 1,5-biphosphate

HCID 448306
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Basic information

CAS
82263-00-1
Standard SMILES
O=C(O)[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@H](O)COP(=O)(O)O
InChIKey
ITHCSGCUQDMYAI-ALEPSDHESA-N
Molecular formula
C6H14O13P2
Average molar mass
356.11 g/mol
Monoisotopic mass
355.99096449

Names & identifiers

Preferred name
4-Carboxyarabinitol 1,5-biphosphate
IUPAC
(2R,3S,4R)-2,3,4-trihydroxy-5-phosphonooxy-2-(phosphonooxymethyl)pentanoic acid
English name
4-carboxyarabinitol 1,5-biphosphate
Molecular formula
C6H14O13P2
Molecular weight
356.115082

Names & synonyms

4-Cabp4-Carboxyarabinitol 1,5-biphosphate82263-00-1RefChem:982742-C-((Phosphonooxy)methyl)-D-xylonic acid 5-(dihydrogen phosphate)D-Xylonic acid, 2-C-((phosphonooxy)methyl)-, 5-(dihydrogen phosphate)1rbo(2R,3S,4R)-2,3,4-trihydroxy-5-phosphonooxy-2-(phosphonooxymethyl)pentanoic acid4-carboxyarabinitol 1,5-bisphosphate

Database identifiers

CAS
82263-00-1
PubChem CID
448306

Properties

Computed structural properties

XLogP
-5.8
Topological polar surface area
232 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
13
Rotatable bonds
9
Heavy atoms
21
Formal charge
0
Complexity
452

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Compound notes

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