dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate

C5H15O7P2+ — CID 118510189

IUPACdihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate
SMILESCCCCCOP(=O)(O)O.O=[P+](O)O
InChIInChI=1S/C5H13O4P.HO3P/c1-2-3-4-5-9-10(6,7)8;1-4(2)3/h2-5H2,1H3,(H2,6,7,8);(H-,1,2,3)/p+1
InChIKeyKYWKBJQCFZWKBH-UHFFFAOYSA-O
MW249.12 g/mol
LogP0.91
Rot. Bonds5

About dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate

dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate (PubChem CID 118510189) has the molecular formula C5H15O7P2+ and a molecular weight of 249.12 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate
PubChem CID118510189
Molecular FormulaC5H15O7P2+
Molecular Weight249.12 g/mol
Exact Mass249.03
IUPAC Namedihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate
SMILESCCCCCOP(=O)(O)O.O=[P+](O)O
InChIInChI=1S/C5H13O4P.HO3P/c1-2-3-4-5-9-10(6,7)8;1-4(2)3/h2-5H2,1H3,(H2,6,7,8);(H-,1,2,3)/p+1
InChIKeyKYWKBJQCFZWKBH-UHFFFAOYSA-O
XLogP0.91
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.12
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

octatriacontyl dihydrogen phosphate
CID 140979287
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

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate?
The IUPAC name of dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate (CID 118510189) is dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate.
What is the SMILES notation for dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate?
The canonical SMILES for dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate is CCCCCOP(=O)(O)O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate?
The InChIKey is KYWKBJQCFZWKBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H13O4P.HO3P/c1-2-3-4-5-9-10(6,7)8;1-4(2)3/h2-5H2,1H3,(H2,6,7,8);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate?
dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate has a molecular weight of 249.12 g/mol, XLogP of 0.91, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;pentyl dihydrogen phosphate is sourced from PubChem (CID 118510189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).