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CID 4134252 (HCID 4134252)|Huagongshe
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Compound
CID 4134252
HCID
4134252
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Basic information
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Basic information
Standard SMILES
O=C([O-])C(O)C(O)C(O)C(O)CO
InChIKey
RGHNJXZEOKUKBD-UHFFFAOYSA-M
Molecular formula
C6H11O7-
Average molar mass
195.15 g/mol
Names & identifiers
Preferred name
CID 4134252
IUPAC
2,3,4,5,6-pentahydroxyhexanoate
Names & synonyms
GTPL4519
AC-907/25004602
Q27077817
Database identifiers
PubChem CID
4134252
Properties
Computed structural properties
XLogP
-2.7
Topological polar surface area
141 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
13
Formal charge
-1
Complexity
165
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Related reactions
1 records
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As reactant
As product
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As solvent
HRID
816036
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
Compound notes
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