CID 58922567

C27H59AsO6P — CID 58922567

IUPAC—
SMILESCCCCCCCCCCCCCCCCCCOCCOCCOP(=O)(O)OCC[As](C)(C)C
InChIInChI=1S/C27H59AsO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-25-32-26-27-34-35(29,30)33-23-21-28(2,3)4/h5-27H2,1-4H3,(H,29,30)
InChIKeyUTKDBAORWNGJBS-UHFFFAOYSA-N
MW585.66 g/mol
LogP8.75
Rot. Bonds28

About CID 58922567

CID 58922567 (PubChem CID 58922567) has the molecular formula C27H59AsO6P and a molecular weight of 585.66 g/mol.

Molecular Properties

Compound NameCID 58922567
PubChem CID58922567
Molecular FormulaC27H59AsO6P
Molecular Weight585.66 g/mol
Exact Mass585.33
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCCOCCOCCOP(=O)(O)OCC[As](C)(C)C
InChIInChI=1S/C27H59AsO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-25-32-26-27-34-35(29,30)33-23-21-28(2,3)4/h5-27H2,1-4H3,(H,29,30)
InChIKeyUTKDBAORWNGJBS-UHFFFAOYSA-N
XLogP8.75
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.66
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 58922890
CID 58922890
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
2-heptadecoxyethyl methyl hydrogen phosphate
CID 175908043
2-[2-decoxyethoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 134978238
2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
CID 72941562
hexyl nonyl hydrogen phosphate
CID 23169649
decyl dodecyl hydrogen phosphate
CID 20810618
hexadecyl hexyl hydrogen phosphate
CID 15132676
dipotassium;2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
CID 21118630
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
decyl propyl hydrogen phosphate
CID 87587050

Frequently Asked Questions

What is the IUPAC name of CID 58922567?
The IUPAC name of CID 58922567 (CID 58922567) is not available.
What is the SMILES notation for CID 58922567?
The canonical SMILES for CID 58922567 is CCCCCCCCCCCCCCCCCCOCCOCCOP(=O)(O)OCC[As](C)(C)C.
What is the InChIKey of CID 58922567?
The InChIKey is UTKDBAORWNGJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H59AsO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-25-32-26-27-34-35(29,30)33-23-21-28(2,3)4/h5-27H2,1-4H3,(H,29,30).
What are the key properties of CID 58922567?
CID 58922567 has a molecular weight of 585.66 g/mol, XLogP of 8.75, 28 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58922567 is sourced from PubChem (CID 58922567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).