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

C5H9O6- — CID 5460056

IUPAC(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/p-1/t2-,3+,4-/m1/s1
InChIKeyQXKAIJAYHKCRRA-FLRLBIABSA-M
MW165.12 g/mol
LogP-4.19
Rot. Bonds4

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

(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate (PubChem CID 5460056) has the molecular formula C5H9O6- and a molecular weight of 165.12 g/mol. Its IUPAC name is (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate.

Molecular Properties

Compound Name(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate
PubChem CID5460056
Molecular FormulaC5H9O6-
Molecular Weight165.12 g/mol
Exact Mass165.04
IUPAC Name(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/p-1/t2-,3+,4-/m1/s1
InChIKeyQXKAIJAYHKCRRA-FLRLBIABSA-M
XLogP-4.19
TPSA121.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 5-4.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

potassium (2S,3S,4R)-2,3,4,5-tetrahydroxypentanoate
CID 23666384
calcium;(2S,3R,4S)-2,3,4,5-tetrahydroxypentanoate;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanoate
CID 78759326
(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 5460054
CID 23618074
CID 23618074
azanium (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 71587380
CID 171700327
CID 171700327
potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 16760467
iron(3+);tris((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 656646
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
dimagnesium;tetrakis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 162352604

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate?
The IUPAC name of (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate (CID 5460056) is (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate.
What is the SMILES notation for (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate?
The canonical SMILES for (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate is O=C([O-])[C@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate?
The InChIKey is QXKAIJAYHKCRRA-FLRLBIABSA-M. The full InChI is InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/p-1/t2-,3+,4-/m1/s1.
What are the key properties of (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate?
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate has a molecular weight of 165.12 g/mol, XLogP of -4.19, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate is sourced from PubChem (CID 5460056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).