1-deuterio-1,3-dihydroxypropan-2-one

C3H6O3 — CID 175831178

IUPAC1-deuterio-1,3-dihydroxypropan-2-one
SMILES[2H]C(O)C(=O)CO
InChIInChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2/i1D
InChIKeyRXKJFZQQPQGTFL-MICDWDOJSA-N
MW91.08 g/mol
LogP-1.46
Rot. Bonds2

About 1-deuterio-1,3-dihydroxypropan-2-one

1-deuterio-1,3-dihydroxypropan-2-one (PubChem CID 175831178) has the molecular formula C3H6O3 and a molecular weight of 91.08 g/mol. Its IUPAC name is 1-deuterio-1,3-dihydroxypropan-2-one.

Molecular Properties

Compound Name1-deuterio-1,3-dihydroxypropan-2-one
PubChem CID175831178
Molecular FormulaC3H6O3
Molecular Weight91.08 g/mol
Exact Mass91.04
IUPAC Name1-deuterio-1,3-dihydroxypropan-2-one
SMILES[2H]C(O)C(=O)CO
InChIInChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2/i1D
InChIKeyRXKJFZQQPQGTFL-MICDWDOJSA-N
XLogP-1.46
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.08
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-deuterio-1,3-dihydroxypropan-2-one 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

1-amino-3-hydroxypropan-2-one
CID 10909488
1,3-dihydroxypropan-2-one;bis(2-sulfanylacetic acid)
CID 88802606
benzene-1,4-diol;1,3-dihydroxypropan-2-one
CID 19905929
5-hydroxy-2,4-dioxopentanoic acid
CID 6326997
ethanethioic S-acid;2-hydroxyethanethioic S-acid
CID 88655579
1-hydroxyoctane-2,7-dione
CID 19604643
1-hydroxy-5-(5-hydroxy-4-oxopentoxy)pentan-2-one
CID 158830330
2-hydroxy-N-methyliodanuidylacetamide
CID 149495843
2-hydroxyacetate
CID 5460308
bis(2-hydroxyacetic acid);methane
CID 158039555
tetrakis(2-hydroxyacetic acid);silane
CID 173225780
CID 175789484
CID 175789484

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-1,3-dihydroxypropan-2-one?
The IUPAC name of 1-deuterio-1,3-dihydroxypropan-2-one (CID 175831178) is 1-deuterio-1,3-dihydroxypropan-2-one.
What is the SMILES notation for 1-deuterio-1,3-dihydroxypropan-2-one?
The canonical SMILES for 1-deuterio-1,3-dihydroxypropan-2-one is [2H]C(O)C(=O)CO.
What is the InChIKey of 1-deuterio-1,3-dihydroxypropan-2-one?
The InChIKey is RXKJFZQQPQGTFL-MICDWDOJSA-N. The full InChI is InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2/i1D.
What are the key properties of 1-deuterio-1,3-dihydroxypropan-2-one?
1-deuterio-1,3-dihydroxypropan-2-one has a molecular weight of 91.08 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-1,3-dihydroxypropan-2-one is sourced from PubChem (CID 175831178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).