sodium diethoxyphosphorylmethanol

C5H13NaO4P+ — CID 22274944

IUPACsodium diethoxyphosphorylmethanol
SMILESCCOP(=O)(CO)OCC.[Na+]
InChIInChI=1S/C5H13O4P.Na/c1-3-8-10(7,5-6)9-4-2;/h6H,3-5H2,1-2H3;/q;+1
InChIKeyLDPMHOAWNOZEQV-UHFFFAOYSA-N
MW191.12 g/mol
LogP-1.79
Rot. Bonds5

About sodium diethoxyphosphorylmethanol

sodium diethoxyphosphorylmethanol (PubChem CID 22274944) has the molecular formula C5H13NaO4P+ and a molecular weight of 191.12 g/mol. Its IUPAC name is sodium diethoxyphosphorylmethanol.

Molecular Properties

Compound Namesodium diethoxyphosphorylmethanol
PubChem CID22274944
Molecular FormulaC5H13NaO4P+
Molecular Weight191.12 g/mol
Exact Mass191.04
IUPAC Namesodium diethoxyphosphorylmethanol
SMILESCCOP(=O)(CO)OCC.[Na+]
InChIInChI=1S/C5H13O4P.Na/c1-3-8-10(7,5-6)9-4-2;/h6H,3-5H2,1-2H3;/q;+1
InChIKeyLDPMHOAWNOZEQV-UHFFFAOYSA-N
XLogP-1.79
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.12
LogP ≤ 5-1.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
[ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol
CID 170897190
[ethoxy(ethyl)phosphoryl]methanol
CID 129384384
diethoxyphosphorylmethanol;diethoxyphosphorylmethyl trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 158528601
8-diethoxyphosphoryloctan-1-ol
CID 10515886
4-diethoxyphosphoryl-1-hydroxybutan-2-one
CID 11009594
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 138625033
carbonochloridic acid;[ethoxy(ethyl)phosphoryl]oxymethanol
CID 88813503
2-bromo-N-(diethoxyphosphorylmethyl)acetamide
CID 54463736

Frequently Asked Questions

What is the IUPAC name of sodium diethoxyphosphorylmethanol?
The IUPAC name of sodium diethoxyphosphorylmethanol (CID 22274944) is sodium diethoxyphosphorylmethanol.
What is the SMILES notation for sodium diethoxyphosphorylmethanol?
The canonical SMILES for sodium diethoxyphosphorylmethanol is CCOP(=O)(CO)OCC.[Na+].
What is the InChIKey of sodium diethoxyphosphorylmethanol?
The InChIKey is LDPMHOAWNOZEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O4P.Na/c1-3-8-10(7,5-6)9-4-2;/h6H,3-5H2,1-2H3;/q;+1.
What are the key properties of sodium diethoxyphosphorylmethanol?
sodium diethoxyphosphorylmethanol has a molecular weight of 191.12 g/mol, XLogP of -1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium diethoxyphosphorylmethanol is sourced from PubChem (CID 22274944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).