2,3-dihydroxyhexanedioate

C6H8O6-2 — CID 20505803

IUPAC2,3-dihydroxyhexanedioate
SMILESO=C([O-])CCC(O)C(O)C(=O)[O-]
InChIInChI=1S/C6H10O6/c7-3(1-2-4(8)9)5(10)6(11)12/h3,5,7,10H,1-2H2,(H,8,9)(H,11,12)/p-2
InChIKeyZTXIVKBKOYCSAF-UHFFFAOYSA-L
MW176.12 g/mol
LogP-4.01
Rot. Bonds5

About 2,3-dihydroxyhexanedioate

2,3-dihydroxyhexanedioate (PubChem CID 20505803) has the molecular formula C6H8O6-2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 2,3-dihydroxyhexanedioate.

Molecular Properties

Compound Name2,3-dihydroxyhexanedioate
PubChem CID20505803
Molecular FormulaC6H8O6-2
Molecular Weight176.12 g/mol
Exact Mass176.03
IUPAC Name2,3-dihydroxyhexanedioate
SMILESO=C([O-])CCC(O)C(O)C(=O)[O-]
InChIInChI=1S/C6H10O6/c7-3(1-2-4(8)9)5(10)6(11)12/h3,5,7,10H,1-2H2,(H,8,9)(H,11,12)/p-2
InChIKeyZTXIVKBKOYCSAF-UHFFFAOYSA-L
XLogP-4.01
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 5-4.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-hydroxypentanedioate
CID 5460200
disodium;(2S)-2-hydroxypentanedioate
CID 56845267
(2R,3S)-2,3,4-trihydroxybutanoate
CID 162224671
2,3-dihydroxybutanedioate
CID 19608871
2-bromopentanedioate
CID 18539512
tetrasodium;4-[(3-carboxylato-1-oxidopropyl)amino]-4-oxidobutanoate
CID 14009399
(3S)-3-hydroxyhexanedioate
CID 20848934
(E)-4,7-dihydroxy-6-oxido-7-oxohept-5-enoate
CID 54675862
(2R)-butane-1,2,4-tricarboxylate
CID 6992751
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
diazanium;2-aminopentanedioate
CID 22497325
copper (2S)-2-aminopentanedioate
CID 87093217

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxyhexanedioate?
The IUPAC name of 2,3-dihydroxyhexanedioate (CID 20505803) is 2,3-dihydroxyhexanedioate.
What is the SMILES notation for 2,3-dihydroxyhexanedioate?
The canonical SMILES for 2,3-dihydroxyhexanedioate is O=C([O-])CCC(O)C(O)C(=O)[O-].
What is the InChIKey of 2,3-dihydroxyhexanedioate?
The InChIKey is ZTXIVKBKOYCSAF-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O6/c7-3(1-2-4(8)9)5(10)6(11)12/h3,5,7,10H,1-2H2,(H,8,9)(H,11,12)/p-2.
What are the key properties of 2,3-dihydroxyhexanedioate?
2,3-dihydroxyhexanedioate has a molecular weight of 176.12 g/mol, XLogP of -4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxyhexanedioate is sourced from PubChem (CID 20505803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).