15-aminopentadecyl dihydrogen phosphate

C15H34NO4P — CID 87683192

IUPAC15-aminopentadecyl dihydrogen phosphate
SMILESNCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C15H34NO4P/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-20-21(17,18)19/h1-16H2,(H2,17,18,19)
InChIKeySYLWIMKPHBAEIC-UHFFFAOYSA-N
MW323.41 g/mol
LogP4.13
Rot. Bonds16

About 15-aminopentadecyl dihydrogen phosphate

15-aminopentadecyl dihydrogen phosphate (PubChem CID 87683192) has the molecular formula C15H34NO4P and a molecular weight of 323.41 g/mol. Its IUPAC name is 15-aminopentadecyl dihydrogen phosphate.

Molecular Properties

Compound Name15-aminopentadecyl dihydrogen phosphate
PubChem CID87683192
Molecular FormulaC15H34NO4P
Molecular Weight323.41 g/mol
Exact Mass323.22
IUPAC Name15-aminopentadecyl dihydrogen phosphate
SMILESNCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C15H34NO4P/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-20-21(17,18)19/h1-16H2,(H2,17,18,19)
InChIKeySYLWIMKPHBAEIC-UHFFFAOYSA-N
XLogP4.13
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 54.13
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

30-aminotriacontyl dihydrogen phosphate
CID 87681380
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318
25-aminopentacosyl dihydrogen phosphate
CID 87681280
6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate
CID 160794380
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
6-aminohexoxy(methyl)phosphinic acid;ethane
CID 166146480
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
6-aminohexyl hexadecyl hydrogen phosphate
CID 71341995
31-iodohentriacontyl dihydrogen phosphate
CID 87681796
34-sulfanyltetratriacontyl dihydrogen phosphate
CID 87681272

Frequently Asked Questions

What is the IUPAC name of 15-aminopentadecyl dihydrogen phosphate?
The IUPAC name of 15-aminopentadecyl dihydrogen phosphate (CID 87683192) is 15-aminopentadecyl dihydrogen phosphate.
What is the SMILES notation for 15-aminopentadecyl dihydrogen phosphate?
The canonical SMILES for 15-aminopentadecyl dihydrogen phosphate is NCCCCCCCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of 15-aminopentadecyl dihydrogen phosphate?
The InChIKey is SYLWIMKPHBAEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34NO4P/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-20-21(17,18)19/h1-16H2,(H2,17,18,19).
What are the key properties of 15-aminopentadecyl dihydrogen phosphate?
15-aminopentadecyl dihydrogen phosphate has a molecular weight of 323.41 g/mol, XLogP of 4.13, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-aminopentadecyl dihydrogen phosphate is sourced from PubChem (CID 87683192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).