[(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate

C6H12O5 — CID 89488956

IUPAC[(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate
SMILESC[C@@H](O)[C@@H](CO)OC(=O)CO
InChIInChI=1S/C6H12O5/c1-4(9)5(2-7)11-6(10)3-8/h4-5,7-9H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyNAEHNWSKBZRFGY-RFZPGFLSSA-N
MW164.16 g/mol
LogP-1.74
Rot. Bonds4

About [(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate

[(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate (PubChem CID 89488956) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is [(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate.

Molecular Properties

Compound Name[(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate
PubChem CID89488956
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name[(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate
SMILESC[C@@H](O)[C@@H](CO)OC(=O)CO
InChIInChI=1S/C6H12O5/c1-4(9)5(2-7)11-6(10)3-8/h4-5,7-9H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyNAEHNWSKBZRFGY-RFZPGFLSSA-N
XLogP-1.74
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate 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)-1,3-dihydroxybutan-2-yl] propanoate
CID 89114249
1,3-dihydroxybutan-2-yl 12-oxotridecanoate
CID 164800880
1,4-dihydroxy-3-methylpentan-2-one
CID 13081578
1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate
CID 176891960
[(2R,3R)-1,3-dihydroxy-4-oxoheptan-2-yl] butanoate
CID 86308050
1-(dimethylamino)ethyl 2-hydroxyacetate
CID 154486667
1-(2-hydroxyacetyl)oxyethanesulfonic acid
CID 174546702
CID 123811776
CID 123811776
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
3,4-dihydroxy-2-(2-hydroxyacetyl)oxybutanoic acid
CID 118556174
1-(dimethylamino)propan-2-yl 2-hydroxyacetate
CID 175391300
(3R,4S)-1,3,4-trihydroxypentan-2-one
CID 101111958

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate?
The IUPAC name of [(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate (CID 89488956) is [(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate.
What is the SMILES notation for [(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate?
The canonical SMILES for [(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate is C[C@@H](O)[C@@H](CO)OC(=O)CO.
What is the InChIKey of [(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate?
The InChIKey is NAEHNWSKBZRFGY-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H12O5/c1-4(9)5(2-7)11-6(10)3-8/h4-5,7-9H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of [(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate?
[(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate has a molecular weight of 164.16 g/mol, XLogP of -1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1,3-dihydroxybutan-2-yl] 2-hydroxyacetate is sourced from PubChem (CID 89488956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).