2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol

C5H11Cl2O5P — CID 151981895

IUPAC2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESO=P(Cl)(Cl)OCC(CO)(CO)CO
InChIInChI=1S/C5H11Cl2O5P/c6-13(7,11)12-4-5(1-8,2-9)3-10/h8-10H,1-4H2
InChIKeyUCVULINOEDYQIA-UHFFFAOYSA-N
MW253.02 g/mol
LogP0.55
Rot. Bonds6

About 2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol

2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 151981895) has the molecular formula C5H11Cl2O5P and a molecular weight of 253.02 g/mol. Its IUPAC name is 2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol
PubChem CID151981895
Molecular FormulaC5H11Cl2O5P
Molecular Weight253.02 g/mol
Exact Mass251.97
IUPAC Name2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol
SMILESO=P(Cl)(Cl)OCC(CO)(CO)CO
InChIInChI=1S/C5H11Cl2O5P/c6-13(7,11)12-4-5(1-8,2-9)3-10/h8-10H,1-4H2
InChIKeyUCVULINOEDYQIA-UHFFFAOYSA-N
XLogP0.55
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.02
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-1,3-propanediol phosphate
CID 21409654
2-Hydroxy-5,5-bis(hydroxymethyl)-1,3,2-dioxaphosphinane 2-oxide
CID 130124961
[3-Hydroxy-2,2-bis(hydroxymethyl)propyl] dihydrogen phosphate
CID 18398370
Pentaerythritol bisphosphorate
CID 21881703
Pentaerythritol diphosphate
CID 54417192
2,2-Dimethylpropane-1,3-diol;phosphoric acid
CID 71323687
2,2-Bis(hydroxymethyl)propane-1,3-diol;phosphoric acid
CID 71365604
Pentaerythritol phosphate nickel salt
CID 129831513
Hydroxy-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium
CID 10654654
(3-Hydroxy-2,2-dimethylpropyl) methyl hydrogen phosphate
CID 18412887
Bis(3-hydroxypropyl) hydrogen phosphate
CID 18465607
Chloro-[2-[[chloro(hydroxy)phosphanyl]oxymethyl]-3-hydroxy-2-(hydroxymethyl)propoxy]phosphinous acid
CID 19418229

Frequently Asked Questions

What is the IUPAC name of 2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol (CID 151981895) is 2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol is O=P(Cl)(Cl)OCC(CO)(CO)CO.
What is the InChIKey of 2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is UCVULINOEDYQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2O5P/c6-13(7,11)12-4-5(1-8,2-9)3-10/h8-10H,1-4H2.
What are the key properties of 2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol?
2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 253.02 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichlorophosphoryloxymethyl)-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 151981895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).