17-cyclopentylheptadecyl dihydrogen phosphate

C22H45O4P — CID 19374057

IUPAC17-cyclopentylheptadecyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCCCCCCC1CCCC1
InChIInChI=1S/C22H45O4P/c23-27(24,25)26-21-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-22-19-15-16-20-22/h22H,1-21H2,(H2,23,24,25)
InChIKeyREFWTMTVZDANBC-UHFFFAOYSA-N
MW404.57 g/mol
LogP7.53
Rot. Bonds19

About 17-cyclopentylheptadecyl dihydrogen phosphate

17-cyclopentylheptadecyl dihydrogen phosphate (PubChem CID 19374057) has the molecular formula C22H45O4P and a molecular weight of 404.57 g/mol. Its IUPAC name is 17-cyclopentylheptadecyl dihydrogen phosphate.

Molecular Properties

Compound Name17-cyclopentylheptadecyl dihydrogen phosphate
PubChem CID19374057
Molecular FormulaC22H45O4P
Molecular Weight404.57 g/mol
Exact Mass404.31
IUPAC Name17-cyclopentylheptadecyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCCCCCCCCCCCCCCCC1CCCC1
InChIInChI=1S/C22H45O4P/c23-27(24,25)26-21-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-22-19-15-16-20-22/h22H,1-21H2,(H2,23,24,25)
InChIKeyREFWTMTVZDANBC-UHFFFAOYSA-N
XLogP7.53
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.57
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[5-cyclohexylpentoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 67502629
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
cyclohexylmethyl dihydrogen phosphate
CID 14982025
12-hydroxydodecyl dihydrogen phosphate
CID 24830904
8-hydroxyoctyl dihydrogen phosphate
CID 87681858
4-cyclopentadecylbutyl 2-(trimethylazaniumyl)ethyl phosphate
CID 172801756
2-(cyclopentylmethylsulfonyl)ethyl dihydrogen phosphate
CID 11300242
octatriacontyl dihydrogen phosphate
CID 140979287
25-iodopentacosyl dihydrogen phosphate
CID 87683330
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
39-phosphonooxynonatriacontylphosphonic acid
CID 87684793

Frequently Asked Questions

What is the IUPAC name of 17-cyclopentylheptadecyl dihydrogen phosphate?
The IUPAC name of 17-cyclopentylheptadecyl dihydrogen phosphate (CID 19374057) is 17-cyclopentylheptadecyl dihydrogen phosphate.
What is the SMILES notation for 17-cyclopentylheptadecyl dihydrogen phosphate?
The canonical SMILES for 17-cyclopentylheptadecyl dihydrogen phosphate is O=P(O)(O)OCCCCCCCCCCCCCCCCCC1CCCC1.
What is the InChIKey of 17-cyclopentylheptadecyl dihydrogen phosphate?
The InChIKey is REFWTMTVZDANBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45O4P/c23-27(24,25)26-21-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-18-22-19-15-16-20-22/h22H,1-21H2,(H2,23,24,25).
What are the key properties of 17-cyclopentylheptadecyl dihydrogen phosphate?
17-cyclopentylheptadecyl dihydrogen phosphate has a molecular weight of 404.57 g/mol, XLogP of 7.53, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-cyclopentylheptadecyl dihydrogen phosphate is sourced from PubChem (CID 19374057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).