2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite

C5H14Cl2O7P2 — CID 158379959

IUPAC2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite
SMILESOCC(CO)(CO)CO.OP(O)OP(Cl)Cl
InChIInChI=1S/C5H12O4.Cl2H2O3P2/c6-1-5(2-7,3-8)4-9;1-6(2)5-7(3)4/h6-9H,1-4H2;3-4H
InChIKeyGVQXVEWHRFPTKO-UHFFFAOYSA-N
MW319.01 g/mol
LogP-0.14
Rot. Bonds6

About 2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite

2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite (PubChem CID 158379959) has the molecular formula C5H14Cl2O7P2 and a molecular weight of 319.01 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite.

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite
PubChem CID158379959
Molecular FormulaC5H14Cl2O7P2
Molecular Weight319.01 g/mol
Exact Mass317.96
IUPAC Name2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite
SMILESOCC(CO)(CO)CO.OP(O)OP(Cl)Cl
InChIInChI=1S/C5H12O4.Cl2H2O3P2/c6-1-5(2-7,3-8)4-9;1-6(2)5-7(3)4/h6-9H,1-4H2;3-4H
InChIKeyGVQXVEWHRFPTKO-UHFFFAOYSA-N
XLogP-0.14
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.01
LogP ≤ 5-0.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;phosphoric acid
CID 172758771
2-(dichlorophosphanyloxymethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 54567304
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
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphite;phosphorous acid
CID 88505588
2,2-bis(hydroxymethyl)propane-1,3-diol;dimethoxymethane
CID 158716862
sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride
CID 173460114
2,2-bis(hydroxymethyl)propane-1,3-diol;bis(1,3-ditert-butyl-5-methylbenzene);dihydroxyphosphanyl dihydrogen phosphite
CID 158756966
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
CID 157350267
2,2-bis(hydroxymethyl)propane-1,3-diol;tetradecyl dihydrogen phosphite
CID 175158559
2,2-bis(hydroxymethyl)propane-1,3-diol;dihydroxyphosphanyl dihydrogen phosphite;2-nonylphenol
CID 159052970

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite?
The IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite (CID 158379959) is 2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite.
What is the SMILES notation for 2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite?
The canonical SMILES for 2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite is OCC(CO)(CO)CO.OP(O)OP(Cl)Cl.
What is the InChIKey of 2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite?
The InChIKey is GVQXVEWHRFPTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4.Cl2H2O3P2/c6-1-5(2-7,3-8)4-9;1-6(2)5-7(3)4/h6-9H,1-4H2;3-4H.
What are the key properties of 2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite?
2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite has a molecular weight of 319.01 g/mol, XLogP of -0.14, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)propane-1,3-diol;dichlorophosphanyl dihydrogen phosphite is sourced from PubChem (CID 158379959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).