2,3,5-trihydroxyhexanedioic acid

C6H10O7 — CID 1737

IUPAC2,3,5-trihydroxyhexanedioic acid
SMILESO=C(O)C(O)CC(O)C(O)C(=O)O
InChIInChI=1S/C6H10O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2-4,7-9H,1H2,(H,10,11)(H,12,13)
InChIKeyWZLURCXZSPTANB-UHFFFAOYSA-N
MW194.14 g/mol
LogP-2.37
Rot. Bonds5

About 2,3,5-trihydroxyhexanedioic acid

2,3,5-trihydroxyhexanedioic acid (PubChem CID 1737) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is 2,3,5-trihydroxyhexanedioic acid.

Molecular Properties

Compound Name2,3,5-trihydroxyhexanedioic acid
PubChem CID1737
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name2,3,5-trihydroxyhexanedioic acid
SMILESO=C(O)C(O)CC(O)C(O)C(=O)O
InChIInChI=1S/C6H10O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2-4,7-9H,1H2,(H,10,11)(H,12,13)
InChIKeyWZLURCXZSPTANB-UHFFFAOYSA-N
XLogP-2.37
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 5-2.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trihydroxyheptanedioic acid
CID 167409175
3-hydroxypropane-1,1,3-tricarboxylic acid
CID 150529276
phosphoric acid;(2R,4R,5R)-2,4,5,6-tetrahydroxyhexanoic acid
CID 87191491
(2R,3S)-2,3,4-trihydroxybutanoic acid;hydrochloride
CID 162317109
Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1)
CID 156593906
(2R)-2-amino-4-hydroxypentanedioic acid
CID 59133640
(2S,3S)-2,3,6-trihydroxy-5-oxohexanoic acid
CID 122234456
4-chloro-2-hydroxypentanoic acid
CID 20550476
CID 88745910
CID 88745910
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trihydroxyhexanedioic acid?
The IUPAC name of 2,3,5-trihydroxyhexanedioic acid (CID 1737) is 2,3,5-trihydroxyhexanedioic acid.
What is the SMILES notation for 2,3,5-trihydroxyhexanedioic acid?
The canonical SMILES for 2,3,5-trihydroxyhexanedioic acid is O=C(O)C(O)CC(O)C(O)C(=O)O.
What is the InChIKey of 2,3,5-trihydroxyhexanedioic acid?
The InChIKey is WZLURCXZSPTANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2-4,7-9H,1H2,(H,10,11)(H,12,13).
What are the key properties of 2,3,5-trihydroxyhexanedioic acid?
2,3,5-trihydroxyhexanedioic acid has a molecular weight of 194.14 g/mol, XLogP of -2.37, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trihydroxyhexanedioic acid is sourced from PubChem (CID 1737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).