1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid)

C7H14O9 — CID 160783173

IUPAC1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid)
SMILESCC(=O)C(O)O.O=C(O)CO.O=C(O)CO
InChIInChI=1S/C3H6O3.2C2H4O3/c1-2(4)3(5)6;2*3-1-2(4)5/h3,5-6H,1H3;2*3H,1H2,(H,4,5)
InChIKeySAVSMGYHJINXNS-UHFFFAOYSA-N
MW242.18 g/mol
LogP-2.99
Rot. Bonds3

About 1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid)

1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid) (PubChem CID 160783173) has the molecular formula C7H14O9 and a molecular weight of 242.18 g/mol. Its IUPAC name is 1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid).

Molecular Properties

Compound Name1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid)
PubChem CID160783173
Molecular FormulaC7H14O9
Molecular Weight242.18 g/mol
Exact Mass242.06
IUPAC Name1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid)
SMILESCC(=O)C(O)O.O=C(O)CO.O=C(O)CO
InChIInChI=1S/C3H6O3.2C2H4O3/c1-2(4)3(5)6;2*3-1-2(4)5/h3,5-6H,1H3;2*3H,1H2,(H,4,5)
InChIKeySAVSMGYHJINXNS-UHFFFAOYSA-N
XLogP-2.99
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.18
LogP ≤ 5-2.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid) 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

tetrakis(2-hydroxyacetic acid);silane
CID 173225780
bis(2-hydroxyacetic acid);methane
CID 158039555
CID 88684247
CID 88684247
acetic acid;methanetriol
CID 174483633
acetic acid;2-hydroxyacetic acid;propanoic acid
CID 174880739
2-hydroxyacetic acid;1-(1-hydroxyethylamino)ethanol
CID 173051150
2-hydroxyacetic acid;methoxymethane
CID 87581490
dioxidanium;bis(2-hydroxyacetic acid);manganese
CID 5232950
2-hydroxyacetic acid;silane;zirconium
CID 174940076
benzene;2-hydroxyacetic acid
CID 67764636
azane;2-hydroxyacetic acid;zirconium
CID 173458110
heptakis(2-hydroxyacetic acid);yttrium;zirconium
CID 154733245

Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid)?
The IUPAC name of 1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid) (CID 160783173) is 1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid).
What is the SMILES notation for 1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid)?
The canonical SMILES for 1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid) is CC(=O)C(O)O.O=C(O)CO.O=C(O)CO.
What is the InChIKey of 1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid)?
The InChIKey is SAVSMGYHJINXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.2C2H4O3/c1-2(4)3(5)6;2*3-1-2(4)5/h3,5-6H,1H3;2*3H,1H2,(H,4,5).
What are the key properties of 1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid)?
1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid) has a molecular weight of 242.18 g/mol, XLogP of -2.99, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroxypropan-2-one;bis(2-hydroxyacetic acid) is sourced from PubChem (CID 160783173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).