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2,3,4,5-Tetrahydroxy-6-methylhept-5-enal

HCID 22748901
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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

Related reactions

1 records
New reaction record
HRID 140564 reaction equation
HRID 140564As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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