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

C5H13NaO4 — CID 173460114

IUPACsodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride
SMILESOCC(CO)(CO)CO.[H-].[Na+]
InChIInChI=1S/C5H12O4.Na.H/c6-1-5(2-7,3-8)4-9;;/h6-9H,1-4H2;;/q;+1;-1
InChIKeyPPKPCAGTGJERBU-UHFFFAOYSA-N
MW160.14 g/mol
LogP-4.94
Rot. Bonds4

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

sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride (PubChem CID 173460114) has the molecular formula C5H13NaO4 and a molecular weight of 160.14 g/mol. Its IUPAC name is sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride.

Molecular Properties

Compound Namesodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride
PubChem CID173460114
Molecular FormulaC5H13NaO4
Molecular Weight160.14 g/mol
Exact Mass160.07
IUPAC Namesodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride
SMILESOCC(CO)(CO)CO.[H-].[Na+]
InChIInChI=1S/C5H12O4.Na.H/c6-1-5(2-7,3-8)4-9;;/h6-9H,1-4H2;;/q;+1;-1
InChIKeyPPKPCAGTGJERBU-UHFFFAOYSA-N
XLogP-4.94
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-4.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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
actinium;2,2-bis(hydroxymethyl)propane-1,3-diol
CID 18715964
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
sodium;2,2-dimethylpropan-1-ol;hydride
CID 174669308
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
2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 157283280

Frequently Asked Questions

What is the IUPAC name of sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride?
The IUPAC name of sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride (CID 173460114) is sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride.
What is the SMILES notation for sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride?
The canonical SMILES for sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride is OCC(CO)(CO)CO.[H-].[Na+].
What is the InChIKey of sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride?
The InChIKey is PPKPCAGTGJERBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4.Na.H/c6-1-5(2-7,3-8)4-9;;/h6-9H,1-4H2;;/q;+1;-1.
What are the key properties of sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride?
sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride has a molecular weight of 160.14 g/mol, XLogP of -4.94, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride is sourced from PubChem (CID 173460114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).