sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate

C19H40NNaO6P- — CID 19694614

IUPACsodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate
SMILESCCCCCCCCCCCCCCOCC(O)CNCCOP(=O)([O-])[O-].[Na+]
InChIInChI=1S/C19H42NO6P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-25-18-19(21)17-20-14-16-26-27(22,23)24;/h19-21H,2-18H2,1H3,(H2,22,23,24);/q;+1/p-2
InChIKeyDIXHDELYUDRUPM-UHFFFAOYSA-L
MW432.49 g/mol
LogP-0.50
Rot. Bonds21

About sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate

sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate (PubChem CID 19694614) has the molecular formula C19H40NNaO6P- and a molecular weight of 432.49 g/mol. Its IUPAC name is sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate.

Molecular Properties

Compound Namesodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate
PubChem CID19694614
Molecular FormulaC19H40NNaO6P-
Molecular Weight432.49 g/mol
Exact Mass432.25
IUPAC Namesodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate
SMILESCCCCCCCCCCCCCCOCC(O)CNCCOP(=O)([O-])[O-].[Na+]
InChIInChI=1S/C19H42NO6P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-25-18-19(21)17-20-14-16-26-27(22,23)24;/h19-21H,2-18H2,1H3,(H2,22,23,24);/q;+1/p-2
InChIKeyDIXHDELYUDRUPM-UHFFFAOYSA-L
XLogP-0.50
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
2-[(2-hydroxy-3-octoxypropyl)amino]ethyl carbamate
CID 83209945
5-[(2-hydroxy-3-octoxypropyl)amino]pentan-2-ol
CID 106130441
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
2-[(3-butoxy-2-hydroxypropyl)amino]ethylphosphonic acid
CID 175621225
4-[(2-hydroxy-3-octoxypropyl)amino]butanamide
CID 60908998
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
1-[2-(dimethylamino)ethylamino]-3-hexoxypropan-2-ol
CID 60635450
4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
CID 106246427
(3-hexadecoxy-2-hydroxypropyl) phosphate;bis(2-hydroxyethyl(trimethyl)azanium)
CID 174936569

Frequently Asked Questions

What is the IUPAC name of sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate?
The IUPAC name of sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate (CID 19694614) is sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate.
What is the SMILES notation for sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate?
The canonical SMILES for sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate is CCCCCCCCCCCCCCOCC(O)CNCCOP(=O)([O-])[O-].[Na+].
What is the InChIKey of sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate?
The InChIKey is DIXHDELYUDRUPM-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H42NO6P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-25-18-19(21)17-20-14-16-26-27(22,23)24;/h19-21H,2-18H2,1H3,(H2,22,23,24);/q;+1/p-2.
What are the key properties of sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate?
sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate has a molecular weight of 432.49 g/mol, XLogP of -0.50, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(2-hydroxy-3-tetradecoxypropyl)amino]ethyl phosphate is sourced from PubChem (CID 19694614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).