(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate

C6H8O8-2 — CID 11988282

IUPAC(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate
SMILESO=C([O-])[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)[O-]
InChIInChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2+,3-,4+
InChIKeyDSLZVSRJTYRBFB-GNSDDBTRSA-L
MW208.12 g/mol
LogP-6.07
Rot. Bonds5

About (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate

(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate (PubChem CID 11988282) has the molecular formula C6H8O8-2 and a molecular weight of 208.12 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate
PubChem CID11988282
Molecular FormulaC6H8O8-2
Molecular Weight208.12 g/mol
Exact Mass208.02
IUPAC Name(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate
SMILESO=C([O-])[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)[O-]
InChIInChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2+,3-,4+
InChIKeyDSLZVSRJTYRBFB-GNSDDBTRSA-L
XLogP-6.07
TPSA161.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
LogP ≤ 5-6.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate 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

(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 5288393
calcium (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 54675058
bis(iron(3+));tris((2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate)
CID 11377634
iron(2+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 11701673
technetium(4+);bis((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate)
CID 159200130
lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 140580975
diazanium;tris((2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate);zirconium(4+)
CID 173362529
potassium;hydron;2,3,4,5-tetrahydroxyhexanedioate
CID 19073829
dilithium;(2R,4S)-2,3,4-trihydroxypentanedioate
CID 140580978
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
2,3-dihydroxybutanedioate
CID 19608871
potassium (2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoate
CID 101160606

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate?
The IUPAC name of (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate (CID 11988282) is (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate.
What is the SMILES notation for (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate?
The canonical SMILES for (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate is O=C([O-])[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)[O-].
What is the InChIKey of (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate?
The InChIKey is DSLZVSRJTYRBFB-GNSDDBTRSA-L. The full InChI is InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2+,3-,4+.
What are the key properties of (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate?
(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate has a molecular weight of 208.12 g/mol, XLogP of -6.07, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate is sourced from PubChem (CID 11988282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).