CID 58922890

C19H43AsO4P — CID 58922890

IUPAC—
SMILESCCCCCCCCCCCCCCOP(=O)(O)OCC[As](C)(C)C
InChIInChI=1S/C19H43AsO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3,(H,21,22)
InChIKeyNYYDLFZRPRYAGO-UHFFFAOYSA-N
MW441.45 g/mol
LogP7.16
Rot. Bonds18

About CID 58922890

CID 58922890 (PubChem CID 58922890) has the molecular formula C19H43AsO4P and a molecular weight of 441.45 g/mol.

Molecular Properties

Compound NameCID 58922890
PubChem CID58922890
Molecular FormulaC19H43AsO4P
Molecular Weight441.45 g/mol
Exact Mass441.21
IUPAC Name—
SMILESCCCCCCCCCCCCCCOP(=O)(O)OCC[As](C)(C)C
InChIInChI=1S/C19H43AsO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3,(H,21,22)
InChIKeyNYYDLFZRPRYAGO-UHFFFAOYSA-N
XLogP7.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 58922567
CID 58922567
hexyl nonyl hydrogen phosphate
CID 23169649
decyl dodecyl hydrogen phosphate
CID 20810618
hexadecyl hexyl hydrogen phosphate
CID 15132676
decyl propyl hydrogen phosphate
CID 87587050
didodecyl hydrogen phosphate;nickel
CID 87136164
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;zinc
CID 20743274
azane;ethyl hexadecyl hydrogen phosphate
CID 174382003
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
acetic acid;dioctyl hydrogen phosphate
CID 175176967

Frequently Asked Questions

What is the IUPAC name of CID 58922890?
The IUPAC name of CID 58922890 (CID 58922890) is not available.
What is the SMILES notation for CID 58922890?
The canonical SMILES for CID 58922890 is CCCCCCCCCCCCCCOP(=O)(O)OCC[As](C)(C)C.
What is the InChIKey of CID 58922890?
The InChIKey is NYYDLFZRPRYAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43AsO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3,(H,21,22).
What are the key properties of CID 58922890?
CID 58922890 has a molecular weight of 441.45 g/mol, XLogP of 7.16, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58922890 is sourced from PubChem (CID 58922890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).