azane;hexadecyl 2-hydroxyethyl hydrogen phosphate

C18H42NO5P — CID 173341052

IUPACazane;hexadecyl 2-hydroxyethyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)OCCO.N
InChIInChI=1S/C18H39O5P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-24(20,21)23-18-16-19;/h19H,2-18H2,1H3,(H,20,21);1H3
InChIKeyWEDWVKRSCJJEHU-UHFFFAOYSA-N
MW383.51 g/mol
LogP5.76
Rot. Bonds19

About azane;hexadecyl 2-hydroxyethyl hydrogen phosphate

azane;hexadecyl 2-hydroxyethyl hydrogen phosphate (PubChem CID 173341052) has the molecular formula C18H42NO5P and a molecular weight of 383.51 g/mol. Its IUPAC name is azane;hexadecyl 2-hydroxyethyl hydrogen phosphate.

Molecular Properties

Compound Nameazane;hexadecyl 2-hydroxyethyl hydrogen phosphate
PubChem CID173341052
Molecular FormulaC18H42NO5P
Molecular Weight383.51 g/mol
Exact Mass383.28
IUPAC Nameazane;hexadecyl 2-hydroxyethyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)OCCO.N
InChIInChI=1S/C18H39O5P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-24(20,21)23-18-16-19;/h19H,2-18H2,1H3,(H,20,21);1H3
InChIKeyWEDWVKRSCJJEHU-UHFFFAOYSA-N
XLogP5.76
TPSA110.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.51
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
didodecyl hydrogen phosphate;nickel
CID 87136164
decyl propyl hydrogen phosphate
CID 87587050
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;zinc
CID 20743274
azane;ethyl hexadecyl hydrogen phosphate
CID 174382003
2-[bis(2-hydroxyethoxy)amino]oxyethanol;dinonyl hydrogen phosphate
CID 173390920
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
2-hydroxyethyl ditridecyl phosphate
CID 86141691

Frequently Asked Questions

What is the IUPAC name of azane;hexadecyl 2-hydroxyethyl hydrogen phosphate?
The IUPAC name of azane;hexadecyl 2-hydroxyethyl hydrogen phosphate (CID 173341052) is azane;hexadecyl 2-hydroxyethyl hydrogen phosphate.
What is the SMILES notation for azane;hexadecyl 2-hydroxyethyl hydrogen phosphate?
The canonical SMILES for azane;hexadecyl 2-hydroxyethyl hydrogen phosphate is CCCCCCCCCCCCCCCCOP(=O)(O)OCCO.N.
What is the InChIKey of azane;hexadecyl 2-hydroxyethyl hydrogen phosphate?
The InChIKey is WEDWVKRSCJJEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39O5P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-24(20,21)23-18-16-19;/h19H,2-18H2,1H3,(H,20,21);1H3.
What are the key properties of azane;hexadecyl 2-hydroxyethyl hydrogen phosphate?
azane;hexadecyl 2-hydroxyethyl hydrogen phosphate has a molecular weight of 383.51 g/mol, XLogP of 5.76, 19 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexadecyl 2-hydroxyethyl hydrogen phosphate is sourced from PubChem (CID 173341052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).