octatriacontyl dihydrogen phosphate

C38H79O4P — CID 140979287

IUPACoctatriacontyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C38H79O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-42-43(39,40)41/h2-38H2,1H3,(H2,39,40,41)
InChIKeyNGIJVAAPLWVSCV-UHFFFAOYSA-N
MW631.02 g/mol
LogP14.16
Rot. Bonds38

About octatriacontyl dihydrogen phosphate

octatriacontyl dihydrogen phosphate (PubChem CID 140979287) has the molecular formula C38H79O4P and a molecular weight of 631.02 g/mol. Its IUPAC name is octatriacontyl dihydrogen phosphate.

Molecular Properties

Compound Nameoctatriacontyl dihydrogen phosphate
PubChem CID140979287
Molecular FormulaC38H79O4P
Molecular Weight631.02 g/mol
Exact Mass630.57
IUPAC Nameoctatriacontyl dihydrogen phosphate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C38H79O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-42-43(39,40)41/h2-38H2,1H3,(H2,39,40,41)
InChIKeyNGIJVAAPLWVSCV-UHFFFAOYSA-N
XLogP14.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds38
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.02
LogP ≤ 514.16
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

heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
dodecyl dihydrogen phosphate;indigane
CID 173026750
azane;octadecyl dihydrogen phosphate
CID 87905459
CID 170842594
CID 170842594
CID 170843971
CID 170843971
alumane;tridecyl dihydrogen phosphate
CID 173322009
ethanol;hexadecyl dihydrogen phosphate
CID 174523308
sodium;hydride;tetradecyl dihydrogen phosphate
CID 173022959

Frequently Asked Questions

What is the IUPAC name of octatriacontyl dihydrogen phosphate?
The IUPAC name of octatriacontyl dihydrogen phosphate (CID 140979287) is octatriacontyl dihydrogen phosphate.
What is the SMILES notation for octatriacontyl dihydrogen phosphate?
The canonical SMILES for octatriacontyl dihydrogen phosphate is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)O.
What is the InChIKey of octatriacontyl dihydrogen phosphate?
The InChIKey is NGIJVAAPLWVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H79O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-42-43(39,40)41/h2-38H2,1H3,(H2,39,40,41).
What are the key properties of octatriacontyl dihydrogen phosphate?
octatriacontyl dihydrogen phosphate has a molecular weight of 631.02 g/mol, XLogP of 14.16, 38 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octatriacontyl dihydrogen phosphate is sourced from PubChem (CID 140979287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).