2,3,4-trihydroxyhexanedioic acid

C6H10O7 — CID 19899983

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

About 2,3,4-trihydroxyhexanedioic acid

2,3,4-trihydroxyhexanedioic acid (PubChem CID 19899983) has the molecular formula C6H10O7 and a molecular weight of 194.14 g/mol. Its IUPAC name is 2,3,4-trihydroxyhexanedioic acid.

Molecular Properties

Compound Name2,3,4-trihydroxyhexanedioic acid
PubChem CID19899983
Molecular FormulaC6H10O7
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Name2,3,4-trihydroxyhexanedioic acid
SMILESO=C(O)CC(O)C(O)C(O)C(=O)O
InChIInChI=1S/C6H10O7/c7-2(1-3(8)9)4(10)5(11)6(12)13/h2,4-5,7,10-11H,1H2,(H,8,9)(H,12,13)
InChIKeyMNXMSEODEAFJKH-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

2,3,4,5-tetrahydroxypentanoic acid
CID 10264
(2S,3S,4R)-2,3,4,6-tetrahydroxyhexanoic acid
CID 91281326
(2S,3R,4S)-5-amino-2,3,4-trihydroxypentanoic acid
CID 135189043
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857454
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
hexane-1,2,3,4,5,6-hexol;2,3,4,5,6-pentahydroxyhexanoic acid
CID 174726112
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy(113C)hexanoic acid
CID 165412478
1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 141140377
(4R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 134944021
(3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 11479470

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trihydroxyhexanedioic acid?
The IUPAC name of 2,3,4-trihydroxyhexanedioic acid (CID 19899983) is 2,3,4-trihydroxyhexanedioic acid.
What is the SMILES notation for 2,3,4-trihydroxyhexanedioic acid?
The canonical SMILES for 2,3,4-trihydroxyhexanedioic acid is O=C(O)CC(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3,4-trihydroxyhexanedioic acid?
The InChIKey is MNXMSEODEAFJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7/c7-2(1-3(8)9)4(10)5(11)6(12)13/h2,4-5,7,10-11H,1H2,(H,8,9)(H,12,13).
What are the key properties of 2,3,4-trihydroxyhexanedioic acid?
2,3,4-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 2,3,4-trihydroxyhexanedioic acid is sourced from PubChem (CID 19899983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).