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Compound
2,3,4,5-Tetrahydroxy-6-methylhept-5-enal
HCID
22748901
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Basic information
Standard SMILES
CC(C)=C(O)C(O)C(O)C(O)C=O
InChIKey
MKLQXPYMPFZNFD-UHFFFAOYSA-N
Molecular formula
C8H14O5
Average molar mass
190.19 g/mol
Names & identifiers
Preferred name
2,3,4,5-Tetrahydroxy-6-methylhept-5-enal
IUPAC
2,3,4,5-tetrahydroxy-6-methylhept-5-enal
Names & synonyms
SCHEMBL28130569
Database identifiers
PubChem CID
22748901
Properties
Computed structural properties
XLogP
-1.2
Topological polar surface area
98 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
207
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Related reactions
1 records
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As solvent
HRID
140564
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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