30-aminotriacontyl dihydrogen phosphate

C30H64NO4P — CID 87681380

IUPAC30-aminotriacontyl dihydrogen phosphate
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C30H64NO4P/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35-36(32,33)34/h1-31H2,(H2,32,33,34)
InChIKeyOOCGSFKIEHHEBG-UHFFFAOYSA-N
MW533.82 g/mol
LogP9.98
Rot. Bonds31

About 30-aminotriacontyl dihydrogen phosphate

30-aminotriacontyl dihydrogen phosphate (PubChem CID 87681380) has the molecular formula C30H64NO4P and a molecular weight of 533.82 g/mol. Its IUPAC name is 30-aminotriacontyl dihydrogen phosphate.

Molecular Properties

Compound Name30-aminotriacontyl dihydrogen phosphate
PubChem CID87681380
Molecular FormulaC30H64NO4P
Molecular Weight533.82 g/mol
Exact Mass533.46
IUPAC Name30-aminotriacontyl dihydrogen phosphate
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C30H64NO4P/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35-36(32,33)34/h1-31H2,(H2,32,33,34)
InChIKeyOOCGSFKIEHHEBG-UHFFFAOYSA-N
XLogP9.98
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.82
LogP ≤ 59.98
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
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
13-chlorotridecyl dihydrogen phosphate
CID 87684789

Frequently Asked Questions

What is the IUPAC name of 30-aminotriacontyl dihydrogen phosphate?
The IUPAC name of 30-aminotriacontyl dihydrogen phosphate (CID 87681380) is 30-aminotriacontyl dihydrogen phosphate.
What is the SMILES notation for 30-aminotriacontyl dihydrogen phosphate?
The canonical SMILES for 30-aminotriacontyl dihydrogen phosphate is NCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of 30-aminotriacontyl dihydrogen phosphate?
The InChIKey is OOCGSFKIEHHEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64NO4P/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35-36(32,33)34/h1-31H2,(H2,32,33,34).
What are the key properties of 30-aminotriacontyl dihydrogen phosphate?
30-aminotriacontyl dihydrogen phosphate has a molecular weight of 533.82 g/mol, XLogP of 9.98, 31 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 30-aminotriacontyl dihydrogen phosphate is sourced from PubChem (CID 87681380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).