25-iodopentacosyl dihydrogen phosphate

C25H52IO4P — CID 87683330

IUPAC25-iodopentacosyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCI
InChIInChI=1S/C25H52IO4P/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/h1-25H2,(H2,27,28,29)
InChIKeyYXUYISKFHSKYIH-UHFFFAOYSA-N
MW574.57 g/mol
LogP9.50
Rot. Bonds26

About 25-iodopentacosyl dihydrogen phosphate

25-iodopentacosyl dihydrogen phosphate (PubChem CID 87683330) has the molecular formula C25H52IO4P and a molecular weight of 574.57 g/mol. Its IUPAC name is 25-iodopentacosyl dihydrogen phosphate.

Molecular Properties

Compound Name25-iodopentacosyl dihydrogen phosphate
PubChem CID87683330
Molecular FormulaC25H52IO4P
Molecular Weight574.57 g/mol
Exact Mass574.26
IUPAC Name25-iodopentacosyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCI
InChIInChI=1S/C25H52IO4P/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/h1-25H2,(H2,27,28,29)
InChIKeyYXUYISKFHSKYIH-UHFFFAOYSA-N
XLogP9.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.57
LogP ≤ 59.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

31-iodohentriacontyl dihydrogen phosphate
CID 87681796
38-iodooctatriacontyl dihydrogen phosphate
CID 87684859
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
octatriacontyl dihydrogen phosphate
CID 140979287
15-aminopentadecyl dihydrogen phosphate
CID 87683192
30-aminotriacontyl dihydrogen phosphate
CID 87681380
13-chlorotridecyl dihydrogen phosphate
CID 87684789
25-chloropentacosyl dihydrogen phosphate
CID 87683690
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318

Frequently Asked Questions

What is the IUPAC name of 25-iodopentacosyl dihydrogen phosphate?
The IUPAC name of 25-iodopentacosyl dihydrogen phosphate (CID 87683330) is 25-iodopentacosyl dihydrogen phosphate.
What is the SMILES notation for 25-iodopentacosyl dihydrogen phosphate?
The canonical SMILES for 25-iodopentacosyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCI.
What is the InChIKey of 25-iodopentacosyl dihydrogen phosphate?
The InChIKey is YXUYISKFHSKYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52IO4P/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/h1-25H2,(H2,27,28,29).
What are the key properties of 25-iodopentacosyl dihydrogen phosphate?
25-iodopentacosyl dihydrogen phosphate has a molecular weight of 574.57 g/mol, XLogP of 9.50, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 25-iodopentacosyl dihydrogen phosphate is sourced from PubChem (CID 87683330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).