hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium

C6H12O4P+ — CID 89314471

IUPAChydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium
SMILESO=C(CCO)CCC[P+](=O)O
InChIInChI=1S/C6H11O4P/c7-4-3-6(8)2-1-5-11(9)10/h7H,1-5H2/p+1
InChIKeyZIDFRVPHIUOQTQ-UHFFFAOYSA-O
MW179.13 g/mol
LogP0.45
Rot. Bonds6

About hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium

hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium (PubChem CID 89314471) has the molecular formula C6H12O4P+ and a molecular weight of 179.13 g/mol. Its IUPAC name is hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium
PubChem CID89314471
Molecular FormulaC6H12O4P+
Molecular Weight179.13 g/mol
Exact Mass179.05
IUPAC Namehydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium
SMILESO=C(CCO)CCC[P+](=O)O
InChIInChI=1S/C6H11O4P/c7-4-3-6(8)2-1-5-11(9)10/h7H,1-5H2/p+1
InChIKeyZIDFRVPHIUOQTQ-UHFFFAOYSA-O
XLogP0.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-6-oxooctanoic acid
CID 22280337
hydroxy-(4-methoxy-4-oxobutyl)-oxophosphanium
CID 11252202
1-hydroxyundecane-3,8-dione
CID 134266398
5-carboxypentyl-hydroxy-oxophosphanium
CID 87652848
9-carboxynonyl-hydroxy-oxophosphanium
CID 122588601
1,11-dihydroxyundecan-6-one
CID 14015246
hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium
CID 157484241
(Z)-1-hydroxyundec-8-en-3-one
CID 174922632
1-hydroxy-5-[2-[5-[2-(5-hydroxy-3-oxopentyl)sulfanylethylsulfanyl]-3-oxopentyl]sulfanylethylsulfanyl]pentan-3-one
CID 57196981
1-amino-4-hydroxybutan-2-one
CID 13368156
1-hydroxydecan-5-one
CID 11658362
1-hydroxyhept-6-en-3-one
CID 152521380

Frequently Asked Questions

What is the IUPAC name of hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium?
The IUPAC name of hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium (CID 89314471) is hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium.
What is the SMILES notation for hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium?
The canonical SMILES for hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium is O=C(CCO)CCC[P+](=O)O.
What is the InChIKey of hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium?
The InChIKey is ZIDFRVPHIUOQTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11O4P/c7-4-3-6(8)2-1-5-11(9)10/h7H,1-5H2/p+1.
What are the key properties of hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium?
hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium has a molecular weight of 179.13 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(6-hydroxy-4-oxohexyl)-oxophosphanium is sourced from PubChem (CID 89314471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).