2,3-dihydroxypropanoate triacetate

C9H14O10-4 — CID 22325987

IUPAC2,3-dihydroxypropanoate triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=C([O-])C(O)CO
InChIInChI=1S/C3H6O4.3C2H4O2/c4-1-2(5)3(6)7;3*1-2(3)4/h2,4-5H,1H2,(H,6,7);3*1H3,(H,3,4)/p-4
InChIKeyKJAMTZRPEDAVDG-UHFFFAOYSA-J
MW282.20 g/mol
LogP-6.64
Rot. Bonds2

About 2,3-dihydroxypropanoate triacetate

2,3-dihydroxypropanoate triacetate (PubChem CID 22325987) has the molecular formula C9H14O10-4 and a molecular weight of 282.20 g/mol. Its IUPAC name is 2,3-dihydroxypropanoate triacetate.

Molecular Properties

Compound Name2,3-dihydroxypropanoate triacetate
PubChem CID22325987
Molecular FormulaC9H14O10-4
Molecular Weight282.20 g/mol
Exact Mass282.06
IUPAC Name2,3-dihydroxypropanoate triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=C([O-])C(O)CO
InChIInChI=1S/C3H6O4.3C2H4O2/c4-1-2(5)3(6)7;3*1-2(3)4/h2,4-5H,1H2,(H,6,7);3*1H3,(H,3,4)/p-4
InChIKeyKJAMTZRPEDAVDG-UHFFFAOYSA-J
XLogP-6.64
TPSA200.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 5-6.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2,3-dihydroxypropanoate triacetate 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

cadmium(2+);bis(2,3-dihydroxypropanoate)
CID 175584526
copper;2,3-dihydroxypropanoate;sulfate
CID 158883106
sodium;propane-1,2-diol;acetate
CID 88844727
potassium;propane-1,2,3-triol;acetate
CID 23700856
sodium;propane-1,2-diol;acetate;trihydrate
CID 173192120
methylazanium;propane-1,2-diol;acetate
CID 160618134
propane-1,2,3-triol;propan-2-ol;acetate
CID 22641262
copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate
CID 159153251
disilver;2-hydroxybutanedioate
CID 14299093
tris(2-hydroxybutanedioate);bis(yttrium(3+))
CID 173103435
disodium;(2S)-2-hydroxybutanedioate
CID 6097189
tris(2-hydroxybutanedioate);bis(terbium(3+))
CID 173160363

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropanoate triacetate?
The IUPAC name of 2,3-dihydroxypropanoate triacetate (CID 22325987) is 2,3-dihydroxypropanoate triacetate.
What is the SMILES notation for 2,3-dihydroxypropanoate triacetate?
The canonical SMILES for 2,3-dihydroxypropanoate triacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O=C([O-])C(O)CO.
What is the InChIKey of 2,3-dihydroxypropanoate triacetate?
The InChIKey is KJAMTZRPEDAVDG-UHFFFAOYSA-J. The full InChI is InChI=1S/C3H6O4.3C2H4O2/c4-1-2(5)3(6)7;3*1-2(3)4/h2,4-5H,1H2,(H,6,7);3*1H3,(H,3,4)/p-4.
What are the key properties of 2,3-dihydroxypropanoate triacetate?
2,3-dihydroxypropanoate triacetate has a molecular weight of 282.20 g/mol, XLogP of -6.64, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropanoate triacetate is sourced from PubChem (CID 22325987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).