25-aminopentacosyl dihydrogen phosphate

C25H54NO4P — CID 87681280

IUPAC25-aminopentacosyl dihydrogen phosphate
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C25H54NO4P/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-30-31(27,28)29/h1-26H2,(H2,27,28,29)
InChIKeyDHBIKMACXSVBOV-UHFFFAOYSA-N
MW463.68 g/mol
LogP8.03
Rot. Bonds26

About 25-aminopentacosyl dihydrogen phosphate

25-aminopentacosyl dihydrogen phosphate (PubChem CID 87681280) has the molecular formula C25H54NO4P and a molecular weight of 463.68 g/mol. Its IUPAC name is 25-aminopentacosyl dihydrogen phosphate.

Molecular Properties

Compound Name25-aminopentacosyl dihydrogen phosphate
PubChem CID87681280
Molecular FormulaC25H54NO4P
Molecular Weight463.68 g/mol
Exact Mass463.38
IUPAC Name25-aminopentacosyl dihydrogen phosphate
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C25H54NO4P/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-30-31(27,28)29/h1-26H2,(H2,27,28,29)
InChIKeyDHBIKMACXSVBOV-UHFFFAOYSA-N
XLogP8.03
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.68
LogP ≤ 58.03
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

15-aminopentadecyl dihydrogen phosphate
CID 87683192
30-aminotriacontyl dihydrogen phosphate
CID 87681380
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318
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
25-iodopentacosyl dihydrogen phosphate
CID 87683330

Frequently Asked Questions

What is the IUPAC name of 25-aminopentacosyl dihydrogen phosphate?
The IUPAC name of 25-aminopentacosyl dihydrogen phosphate (CID 87681280) is 25-aminopentacosyl dihydrogen phosphate.
What is the SMILES notation for 25-aminopentacosyl dihydrogen phosphate?
The canonical SMILES for 25-aminopentacosyl dihydrogen phosphate is NCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of 25-aminopentacosyl dihydrogen phosphate?
The InChIKey is DHBIKMACXSVBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54NO4P/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-30-31(27,28)29/h1-26H2,(H2,27,28,29).
What are the key properties of 25-aminopentacosyl dihydrogen phosphate?
25-aminopentacosyl dihydrogen phosphate has a molecular weight of 463.68 g/mol, XLogP of 8.03, 26 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 25-aminopentacosyl dihydrogen phosphate is sourced from PubChem (CID 87681280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).