(2R,3S)-2,3,4-trihydroxybutanoate

C8H14O10-2 — CID 162224671

IUPAC(2R,3S)-2,3,4-trihydroxybutanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)CO
InChIInChI=1S/2C4H8O5/c2*5-1-2(6)3(7)4(8)9/h2*2-3,5-7H,1H2,(H,8,9)/p-2/t2*2-,3+/m00/s1
InChIKeyZUPASSQBXSJDLS-ULVVOCQISA-L
MW270.19 g/mol
LogP-7.10
Rot. Bonds6

About (2R,3S)-2,3,4-trihydroxybutanoate

(2R,3S)-2,3,4-trihydroxybutanoate (PubChem CID 162224671) has the molecular formula C8H14O10-2 and a molecular weight of 270.19 g/mol. Its IUPAC name is (2R,3S)-2,3,4-trihydroxybutanoate.

Molecular Properties

Compound Name(2R,3S)-2,3,4-trihydroxybutanoate
PubChem CID162224671
Molecular FormulaC8H14O10-2
Molecular Weight270.19 g/mol
Exact Mass270.06
IUPAC Name(2R,3S)-2,3,4-trihydroxybutanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)CO
InChIInChI=1S/2C4H8O5/c2*5-1-2(6)3(7)4(8)9/h2*2-3,5-7H,1H2,(H,8,9)/p-2/t2*2-,3+/m00/s1
InChIKeyZUPASSQBXSJDLS-ULVVOCQISA-L
XLogP-7.10
TPSA201.64 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.19
LogP ≤ 5-7.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate
CID 5460056
potassium (2S,3S,4R)-2,3,4,5-tetrahydroxypentanoate
CID 23666384
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 5460054
calcium;(2S,3R,4S)-2,3,4,5-tetrahydroxypentanoate;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanoate
CID 78759326
azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 71587380
CID 171700327
CID 171700327
CID 23618074
CID 23618074
iron(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 656646
potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 16760467
dizinc;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 175791936
indium(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 24815492
aluminum (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 21124159

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3,4-trihydroxybutanoate?
The IUPAC name of (2R,3S)-2,3,4-trihydroxybutanoate (CID 162224671) is (2R,3S)-2,3,4-trihydroxybutanoate.
What is the SMILES notation for (2R,3S)-2,3,4-trihydroxybutanoate?
The canonical SMILES for (2R,3S)-2,3,4-trihydroxybutanoate is O=C([O-])[C@H](O)[C@@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2R,3S)-2,3,4-trihydroxybutanoate?
The InChIKey is ZUPASSQBXSJDLS-ULVVOCQISA-L. The full InChI is InChI=1S/2C4H8O5/c2*5-1-2(6)3(7)4(8)9/h2*2-3,5-7H,1H2,(H,8,9)/p-2/t2*2-,3+/m00/s1.
What are the key properties of (2R,3S)-2,3,4-trihydroxybutanoate?
(2R,3S)-2,3,4-trihydroxybutanoate has a molecular weight of 270.19 g/mol, XLogP of -7.10, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3,4-trihydroxybutanoate is sourced from PubChem (CID 162224671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).