6-aminohexyl hexadecyl hydrogen phosphate

C22H48NO4P — CID 71341995

IUPAC6-aminohexyl hexadecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCN
InChIInChI=1S/C22H48NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-26-28(24,25)27-22-19-16-14-17-20-23/h2-23H2,1H3,(H,24,25)
InChIKeyFIHUSFNVVLVTGD-UHFFFAOYSA-N
MW421.60 g/mol
LogP7.12
Rot. Bonds23

About 6-aminohexyl hexadecyl hydrogen phosphate

6-aminohexyl hexadecyl hydrogen phosphate (PubChem CID 71341995) has the molecular formula C22H48NO4P and a molecular weight of 421.60 g/mol. Its IUPAC name is 6-aminohexyl hexadecyl hydrogen phosphate.

Molecular Properties

Compound Name6-aminohexyl hexadecyl hydrogen phosphate
PubChem CID71341995
Molecular FormulaC22H48NO4P
Molecular Weight421.60 g/mol
Exact Mass421.33
IUPAC Name6-aminohexyl hexadecyl hydrogen phosphate
SMILESCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCN
InChIInChI=1S/C22H48NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-26-28(24,25)27-22-19-16-14-17-20-23/h2-23H2,1H3,(H,24,25)
InChIKeyFIHUSFNVVLVTGD-UHFFFAOYSA-N
XLogP7.12
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.60
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-aminohexyl hexadecyl hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl hexyl hydrogen phosphate;dodecan-1-amine
CID 175403513
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
bis(6-methylheptyl) hydrogen phosphate;tetradecan-1-amine
CID 175403528
decyl propyl hydrogen phosphate
CID 87587050
didodecyl hydrogen phosphate;nickel
CID 87136164
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;zinc
CID 20743274
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
azane;ethyl hexadecyl hydrogen phosphate
CID 174382003

Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl hexadecyl hydrogen phosphate?
The IUPAC name of 6-aminohexyl hexadecyl hydrogen phosphate (CID 71341995) is 6-aminohexyl hexadecyl hydrogen phosphate.
What is the SMILES notation for 6-aminohexyl hexadecyl hydrogen phosphate?
The canonical SMILES for 6-aminohexyl hexadecyl hydrogen phosphate is CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCN.
What is the InChIKey of 6-aminohexyl hexadecyl hydrogen phosphate?
The InChIKey is FIHUSFNVVLVTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-26-28(24,25)27-22-19-16-14-17-20-23/h2-23H2,1H3,(H,24,25).
What are the key properties of 6-aminohexyl hexadecyl hydrogen phosphate?
6-aminohexyl hexadecyl hydrogen phosphate has a molecular weight of 421.60 g/mol, XLogP of 7.12, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexyl hexadecyl hydrogen phosphate is sourced from PubChem (CID 71341995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).