actinium;2,2-bis(hydroxymethyl)propane-1,3-diol

C5H12Ac8O4 — CID 18715964

IUPACactinium;2,2-bis(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)CO.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C5H12O4.8Ac/c6-1-5(2-7,3-8)4-9;;;;;;;;/h6-9H,1-4H2;;;;;;;;
InChIKeyISHQIYYDCKDPIG-UHFFFAOYSA-N
MW1952.15 g/mol
LogP-2.06
Rot. Bonds4

About actinium;2,2-bis(hydroxymethyl)propane-1,3-diol

actinium;2,2-bis(hydroxymethyl)propane-1,3-diol (PubChem CID 18715964) has the molecular formula C5H12Ac8O4 and a molecular weight of 1952.15 g/mol. Its IUPAC name is actinium;2,2-bis(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Nameactinium;2,2-bis(hydroxymethyl)propane-1,3-diol
PubChem CID18715964
Molecular FormulaC5H12Ac8O4
Molecular Weight1952.15 g/mol
Exact Mass1952.30
IUPAC Nameactinium;2,2-bis(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)CO.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C5H12O4.8Ac/c6-1-5(2-7,3-8)4-9;;;;;;;;/h6-9H,1-4H2;;;;;;;;
InChIKeyISHQIYYDCKDPIG-UHFFFAOYSA-N
XLogP-2.06
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001952.15
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze actinium;2,2-bis(hydroxymethyl)propane-1,3-diol 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

2,2-bis(hydroxymethyl)(113C)propane-1,3-diol
CID 162343547
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc
CID 175286954
sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride
CID 173460114
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267
tetrakis(2,2-bis(hydroxymethyl)propane-1,3-diol);tetraazide
CID 173049847
2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol
CID 174799248
acetic acid;bis(2,2-bis(hydroxymethyl)propane-1,3-diol)
CID 173446571
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);tetrakis(butanedioic acid)
CID 173039595
2,2-bis(hydroxymethyl)propane-1,3-diol;N-ethylethanamine
CID 158653740
2,2-bis(hydroxymethyl)propane-1,3-diol;dimethoxymethane
CID 158716862
3-bromo-2,2-bis(bromomethyl)propan-1-ol
CID 15206
2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 157283280

Frequently Asked Questions

What is the IUPAC name of actinium;2,2-bis(hydroxymethyl)propane-1,3-diol?
The IUPAC name of actinium;2,2-bis(hydroxymethyl)propane-1,3-diol (CID 18715964) is actinium;2,2-bis(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for actinium;2,2-bis(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for actinium;2,2-bis(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)CO.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].
What is the InChIKey of actinium;2,2-bis(hydroxymethyl)propane-1,3-diol?
The InChIKey is ISHQIYYDCKDPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4.8Ac/c6-1-5(2-7,3-8)4-9;;;;;;;;/h6-9H,1-4H2;;;;;;;;.
What are the key properties of actinium;2,2-bis(hydroxymethyl)propane-1,3-diol?
actinium;2,2-bis(hydroxymethyl)propane-1,3-diol has a molecular weight of 1952.15 g/mol, XLogP of -2.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;2,2-bis(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 18715964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).