5-aminohexyl dihydrogen phosphate

C6H16NO4P — CID 18767611

IUPAC5-aminohexyl dihydrogen phosphate
SMILESCC(N)CCCCOP(=O)(O)O
InChIInChI=1S/C6H16NO4P/c1-6(7)4-2-3-5-11-12(8,9)10/h6H,2-5,7H2,1H3,(H2,8,9,10)
InChIKeyVZLQPHZAKRBFOZ-UHFFFAOYSA-N
MW197.17 g/mol
LogP0.61
Rot. Bonds6

About 5-aminohexyl dihydrogen phosphate

5-aminohexyl dihydrogen phosphate (PubChem CID 18767611) has the molecular formula C6H16NO4P and a molecular weight of 197.17 g/mol. Its IUPAC name is 5-aminohexyl dihydrogen phosphate.

Molecular Properties

Compound Name5-aminohexyl dihydrogen phosphate
PubChem CID18767611
Molecular FormulaC6H16NO4P
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Name5-aminohexyl dihydrogen phosphate
SMILESCC(N)CCCCOP(=O)(O)O
InChIInChI=1S/C6H16NO4P/c1-6(7)4-2-3-5-11-12(8,9)10/h6H,2-5,7H2,1H3,(H2,8,9,10)
InChIKeyVZLQPHZAKRBFOZ-UHFFFAOYSA-N
XLogP0.61
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

sodium;hydride;7-methyldecyl dihydrogen phosphate
CID 173332975
[(2R)-2-aminopropyl] dihydrogen phosphate
CID 91096185
[(2S)-2-aminopropyl] dihydrogen phosphate
CID 87075669
7-methyldecyl dihydrogen phosphate
CID 19881894
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
(5-methyl-4-propan-2-ylhexyl) dihydrogen phosphate
CID 87908997
sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
30-aminotriacontyl dihydrogen phosphate
CID 87681380
15-aminopentadecyl dihydrogen phosphate
CID 87683192
octatriacontyl dihydrogen phosphate
CID 140979287

Frequently Asked Questions

What is the IUPAC name of 5-aminohexyl dihydrogen phosphate?
The IUPAC name of 5-aminohexyl dihydrogen phosphate (CID 18767611) is 5-aminohexyl dihydrogen phosphate.
What is the SMILES notation for 5-aminohexyl dihydrogen phosphate?
The canonical SMILES for 5-aminohexyl dihydrogen phosphate is CC(N)CCCCOP(=O)(O)O.
What is the InChIKey of 5-aminohexyl dihydrogen phosphate?
The InChIKey is VZLQPHZAKRBFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO4P/c1-6(7)4-2-3-5-11-12(8,9)10/h6H,2-5,7H2,1H3,(H2,8,9,10).
What are the key properties of 5-aminohexyl dihydrogen phosphate?
5-aminohexyl dihydrogen phosphate has a molecular weight of 197.17 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminohexyl dihydrogen phosphate is sourced from PubChem (CID 18767611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).