(3S)-3-hydroxyhexanedioate

C6H8O5-2 — CID 20848934

IUPAC(3S)-3-hydroxyhexanedioate
SMILESO=C([O-])CC[C@H](O)CC(=O)[O-]
InChIInChI=1S/C6H10O5/c7-4(3-6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/p-2/t4-/m0/s1
InChIKeyYVOMYDHIQVMMTA-BYPYZUCNSA-L
MW160.12 g/mol
LogP-2.98
Rot. Bonds5

About (3S)-3-hydroxyhexanedioate

(3S)-3-hydroxyhexanedioate (PubChem CID 20848934) has the molecular formula C6H8O5-2 and a molecular weight of 160.12 g/mol. Its IUPAC name is (3S)-3-hydroxyhexanedioate.

Molecular Properties

Compound Name(3S)-3-hydroxyhexanedioate
PubChem CID20848934
Molecular FormulaC6H8O5-2
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name(3S)-3-hydroxyhexanedioate
SMILESO=C([O-])CC[C@H](O)CC(=O)[O-]
InChIInChI=1S/C6H10O5/c7-4(3-6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/p-2/t4-/m0/s1
InChIKeyYVOMYDHIQVMMTA-BYPYZUCNSA-L
XLogP-2.98
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-2.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-hydroxyhexanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxydecanedioate
CID 20848938
(2S)-butane-1,2,4-tricarboxylate
CID 7000096
(2R)-butane-1,2,4-tricarboxylate
CID 6992751
(3S)-3-hydroxyoctanoate
CID 86308677
(3R)-4-bromo-3-hydroxybutanoate
CID 18610873
(2R)-2-hydroxypentanedioate
CID 5460200
3-hydroxy-6-methyloctanoate
CID 23176792
potassium 3-hydroxydodecanoate
CID 171061524
tetrasodium;4-[(3-carboxylato-1-oxidopropyl)amino]-4-oxidobutanoate
CID 14009399
disodium;(2S)-2-hydroxypentanedioate
CID 56845267
magnesium bis(3-hydroxypentanoate)
CID 164775085
2,3-dihydroxyhexanedioate
CID 20505803

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxyhexanedioate?
The IUPAC name of (3S)-3-hydroxyhexanedioate (CID 20848934) is (3S)-3-hydroxyhexanedioate.
What is the SMILES notation for (3S)-3-hydroxyhexanedioate?
The canonical SMILES for (3S)-3-hydroxyhexanedioate is O=C([O-])CC[C@H](O)CC(=O)[O-].
What is the InChIKey of (3S)-3-hydroxyhexanedioate?
The InChIKey is YVOMYDHIQVMMTA-BYPYZUCNSA-L. The full InChI is InChI=1S/C6H10O5/c7-4(3-6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)/p-2/t4-/m0/s1.
What are the key properties of (3S)-3-hydroxyhexanedioate?
(3S)-3-hydroxyhexanedioate has a molecular weight of 160.12 g/mol, XLogP of -2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxyhexanedioate is sourced from PubChem (CID 20848934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).