sodium hydroxy propyl phosphate

C3H8NaO5P — CID 172830425

IUPACsodium hydroxy propyl phosphate
SMILESCCCOP(=O)([O-])OO.[Na+]
InChIInChI=1S/C3H9O5P.Na/c1-2-3-7-9(5,6)8-4;/h4H,2-3H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyVLBVCFYCZMWOQF-UHFFFAOYSA-M
MW178.06 g/mol
LogP-2.62
Rot. Bonds4

About sodium hydroxy propyl phosphate

sodium hydroxy propyl phosphate (PubChem CID 172830425) has the molecular formula C3H8NaO5P and a molecular weight of 178.06 g/mol. Its IUPAC name is sodium hydroxy propyl phosphate.

Molecular Properties

Compound Namesodium hydroxy propyl phosphate
PubChem CID172830425
Molecular FormulaC3H8NaO5P
Molecular Weight178.06 g/mol
Exact Mass178.00
IUPAC Namesodium hydroxy propyl phosphate
SMILESCCCOP(=O)([O-])OO.[Na+]
InChIInChI=1S/C3H9O5P.Na/c1-2-3-7-9(5,6)8-4;/h4H,2-3H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyVLBVCFYCZMWOQF-UHFFFAOYSA-M
XLogP-2.62
TPSA78.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 5-2.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

sodium amino propyl phosphate
CID 174784234
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
butyl propyl phosphate;nickel
CID 88805143
disodium bis(dioctadecyl phosphate)
CID 172826116
dibutyl phosphate;tetramethylphosphanium
CID 87474476
magnesium dibutyl phosphate
CID 21400580
sodium butyl decyl phosphate
CID 174997110
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
sodium octadecoxy propyl phosphate
CID 170334947
2-acetamidoethyl propyl phosphate
CID 23558663
dipentyl phosphate;nickel(2+)
CID 22743882

Frequently Asked Questions

What is the IUPAC name of sodium hydroxy propyl phosphate?
The IUPAC name of sodium hydroxy propyl phosphate (CID 172830425) is sodium hydroxy propyl phosphate.
What is the SMILES notation for sodium hydroxy propyl phosphate?
The canonical SMILES for sodium hydroxy propyl phosphate is CCCOP(=O)([O-])OO.[Na+].
What is the InChIKey of sodium hydroxy propyl phosphate?
The InChIKey is VLBVCFYCZMWOQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9O5P.Na/c1-2-3-7-9(5,6)8-4;/h4H,2-3H2,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of sodium hydroxy propyl phosphate?
sodium hydroxy propyl phosphate has a molecular weight of 178.06 g/mol, XLogP of -2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy propyl phosphate is sourced from PubChem (CID 172830425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).