1-dimethoxyphosphorylpropane-1,2-diol

C5H13O5P — CID 74820780

IUPAC1-dimethoxyphosphorylpropane-1,2-diol
SMILESCOP(=O)(OC)C(O)C(C)O
InChIInChI=1S/C5H13O5P/c1-4(6)5(7)11(8,9-2)10-3/h4-7H,1-3H3
InChIKeyNPILGPDIMQWKHY-UHFFFAOYSA-N
MW184.13 g/mol
LogP0.17
Rot. Bonds4

About 1-dimethoxyphosphorylpropane-1,2-diol

1-dimethoxyphosphorylpropane-1,2-diol (PubChem CID 74820780) has the molecular formula C5H13O5P and a molecular weight of 184.13 g/mol. Its IUPAC name is 1-dimethoxyphosphorylpropane-1,2-diol.

Molecular Properties

Compound Name1-dimethoxyphosphorylpropane-1,2-diol
PubChem CID74820780
Molecular FormulaC5H13O5P
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Name1-dimethoxyphosphorylpropane-1,2-diol
SMILESCOP(=O)(OC)C(O)C(C)O
InChIInChI=1S/C5H13O5P/c1-4(6)5(7)11(8,9-2)10-3/h4-7H,1-3H3
InChIKeyNPILGPDIMQWKHY-UHFFFAOYSA-N
XLogP0.17
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1-dimethoxyphosphorylpropane-1,2-diol
CID 42612314
(2R)-1-amino-1-dimethoxyphosphorylpropan-2-ol
CID 167170160
(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol
CID 125471602
(1R,2R)-1-dimethoxyphosphoryl-2-(4-methylphenyl)propan-1-ol
CID 72715863
methyl 2-dimethoxyphosphorylpropanoate
CID 11019771
methyl (2S)-2-dimethoxyphosphorylpropanoate
CID 124577703
1-dimethoxyphosphorylprop-2-yn-1-ol
CID 130122610
1-dimethoxyphosphoryl-3-methoxypropan-1-ol
CID 13339452
(E)-1-dimethoxyphosphorylbut-2-en-1-ol
CID 5470785
2-[hydroperoxy(methoxy)phosphoryl]propanal
CID 175986894
N-(1-dimethoxyphosphoryl-2-methylpropyl)hydroxylamine
CID 12065471
tert-butyl N-[(1R,2S,3S)-1-dimethoxyphosphoryl-1-hydroxy-3-methylpentan-2-yl]carbamate
CID 101252494

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphorylpropane-1,2-diol?
The IUPAC name of 1-dimethoxyphosphorylpropane-1,2-diol (CID 74820780) is 1-dimethoxyphosphorylpropane-1,2-diol.
What is the SMILES notation for 1-dimethoxyphosphorylpropane-1,2-diol?
The canonical SMILES for 1-dimethoxyphosphorylpropane-1,2-diol is COP(=O)(OC)C(O)C(C)O.
What is the InChIKey of 1-dimethoxyphosphorylpropane-1,2-diol?
The InChIKey is NPILGPDIMQWKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O5P/c1-4(6)5(7)11(8,9-2)10-3/h4-7H,1-3H3.
What are the key properties of 1-dimethoxyphosphorylpropane-1,2-diol?
1-dimethoxyphosphorylpropane-1,2-diol has a molecular weight of 184.13 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphorylpropane-1,2-diol is sourced from PubChem (CID 74820780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).