sodium amino propyl phosphate

C3H9NNaO4P — CID 174784234

IUPACsodium amino propyl phosphate
SMILESCCCOP(=O)([O-])ON.[Na+]
InChIInChI=1S/C3H10NO4P.Na/c1-2-3-7-9(5,6)8-4;/h2-4H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyLATJASQVLZHQAF-UHFFFAOYSA-M
MW177.07 g/mol
LogP-3.22
Rot. Bonds4

About sodium amino propyl phosphate

sodium amino propyl phosphate (PubChem CID 174784234) has the molecular formula C3H9NNaO4P and a molecular weight of 177.07 g/mol. Its IUPAC name is sodium amino propyl phosphate.

Molecular Properties

Compound Namesodium amino propyl phosphate
PubChem CID174784234
Molecular FormulaC3H9NNaO4P
Molecular Weight177.07 g/mol
Exact Mass177.02
IUPAC Namesodium amino propyl phosphate
SMILESCCCOP(=O)([O-])ON.[Na+]
InChIInChI=1S/C3H10NO4P.Na/c1-2-3-7-9(5,6)8-4;/h2-4H2,1H3,(H,5,6);/q;+1/p-1
InChIKeyLATJASQVLZHQAF-UHFFFAOYSA-M
XLogP-3.22
TPSA84.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 5-3.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium hydroxy propyl phosphate
CID 172830425
butyl propyl phosphate;nickel
CID 88805143
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
disodium bis(dioctadecyl phosphate)
CID 172826116
diamino phosphate
CID 23499702
magnesium dibutyl phosphate
CID 21400580
O-[propoxy(silyl)phosphoryl]hydroxylamine
CID 175426852
sodium butyl decyl phosphate
CID 174997110
sodium octadecoxy propyl phosphate
CID 170334947
dipentyl phosphate;nickel(2+)
CID 22743882
diicosyl phosphate
CID 21219883
disodium bis(diethyl phosphate)
CID 57370561

Frequently Asked Questions

What is the IUPAC name of sodium amino propyl phosphate?
The IUPAC name of sodium amino propyl phosphate (CID 174784234) is sodium amino propyl phosphate.
What is the SMILES notation for sodium amino propyl phosphate?
The canonical SMILES for sodium amino propyl phosphate is CCCOP(=O)([O-])ON.[Na+].
What is the InChIKey of sodium amino propyl phosphate?
The InChIKey is LATJASQVLZHQAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H10NO4P.Na/c1-2-3-7-9(5,6)8-4;/h2-4H2,1H3,(H,5,6);/q;+1/p-1.
What are the key properties of sodium amino propyl phosphate?
sodium amino propyl phosphate has a molecular weight of 177.07 g/mol, XLogP of -3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium amino propyl phosphate is sourced from PubChem (CID 174784234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).