(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid

C6H10O8 — CID 6857454

IUPAC(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
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)/t1-,2+,3-,4-/m0/s1
InChIKeyDSLZVSRJTYRBFB-YCAKELIYSA-N
MW210.14 g/mol
LogP-3.40
Rot. Bonds5

About (2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid

(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid (PubChem CID 6857454) has the molecular formula C6H10O8 and a molecular weight of 210.14 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
PubChem CID6857454
Molecular FormulaC6H10O8
Molecular Weight210.14 g/mol
Exact Mass210.04
IUPAC Name(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
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)/t1-,2+,3-,4-/m0/s1
InChIKeyDSLZVSRJTYRBFB-YCAKELIYSA-N
XLogP-3.40
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.14
LogP ≤ 5-3.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 6857450
azane;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 90473080
alumane;copper;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175292865
sodium;hydride;(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362535
sodium;hydride;2,3,4,5-tetrahydroxyhexanedioic acid;zirconium
CID 173362537
sodium;hydride;hydron;2,3,4,5-tetrahydroxyhexanedioic acid
CID 175445177
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
(2S,3S,4R,5S)-6-amino-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 167483909
(2S,3S,4S,5R)-6-bromo-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 141336053
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanoic acid
CID 5459874
(2S)-2,3,3-trihydroxypropanoic acid
CID 122198461
(3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
CID 11479470

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid?
The IUPAC name of (2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid (CID 6857454) is (2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid.
What is the SMILES notation for (2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid?
The canonical SMILES for (2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid 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,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid?
The InChIKey is DSLZVSRJTYRBFB-YCAKELIYSA-N. 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)/t1-,2+,3-,4-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid?
(2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid has a molecular weight of 210.14 g/mol, XLogP of -3.40, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid is sourced from PubChem (CID 6857454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).