5-carboxypentyl-hydroxy-oxophosphanium

C6H12O4P+ — CID 87652848

IUPAC5-carboxypentyl-hydroxy-oxophosphanium
SMILESO=C(O)CCCCC[P+](=O)O
InChIInChI=1S/C6H11O4P/c7-6(8)4-2-1-3-5-11(9)10/h1-5H2,(H-,7,8,9,10)/p+1
InChIKeySRRJMJKHWASQCZ-UHFFFAOYSA-O
MW179.13 g/mol
LogP1.37
Rot. Bonds6

About 5-carboxypentyl-hydroxy-oxophosphanium

5-carboxypentyl-hydroxy-oxophosphanium (PubChem CID 87652848) has the molecular formula C6H12O4P+ and a molecular weight of 179.13 g/mol. Its IUPAC name is 5-carboxypentyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name5-carboxypentyl-hydroxy-oxophosphanium
PubChem CID87652848
Molecular FormulaC6H12O4P+
Molecular Weight179.13 g/mol
Exact Mass179.05
IUPAC Name5-carboxypentyl-hydroxy-oxophosphanium
SMILESO=C(O)CCCCC[P+](=O)O
InChIInChI=1S/C6H11O4P/c7-6(8)4-2-1-3-5-11(9)10/h1-5H2,(H-,7,8,9,10)/p+1
InChIKeySRRJMJKHWASQCZ-UHFFFAOYSA-O
XLogP1.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 51.37
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

9-carboxynonyl-hydroxy-oxophosphanium
CID 122588601
10-carboxydecyl-oxido-oxophosphanium
CID 102297896
heptadecanedioic acid
CID 3083765
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252

Frequently Asked Questions

What is the IUPAC name of 5-carboxypentyl-hydroxy-oxophosphanium?
The IUPAC name of 5-carboxypentyl-hydroxy-oxophosphanium (CID 87652848) is 5-carboxypentyl-hydroxy-oxophosphanium.
What is the SMILES notation for 5-carboxypentyl-hydroxy-oxophosphanium?
The canonical SMILES for 5-carboxypentyl-hydroxy-oxophosphanium is O=C(O)CCCCC[P+](=O)O.
What is the InChIKey of 5-carboxypentyl-hydroxy-oxophosphanium?
The InChIKey is SRRJMJKHWASQCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11O4P/c7-6(8)4-2-1-3-5-11(9)10/h1-5H2,(H-,7,8,9,10)/p+1.
What are the key properties of 5-carboxypentyl-hydroxy-oxophosphanium?
5-carboxypentyl-hydroxy-oxophosphanium has a molecular weight of 179.13 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carboxypentyl-hydroxy-oxophosphanium is sourced from PubChem (CID 87652848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).