4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium

C5H12O4P+ — CID 123199268

IUPAC4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium
SMILESCC(CC(O)CO)[P+](=O)O
InChIInChI=1S/C5H11O4P/c1-4(10(8)9)2-5(7)3-6/h4-7H,2-3H2,1H3/p+1
InChIKeyLNRREMXHQCKRPZ-UHFFFAOYSA-O
MW167.12 g/mol
LogP-0.15
Rot. Bonds4

About 4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium

4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium (PubChem CID 123199268) has the molecular formula C5H12O4P+ and a molecular weight of 167.12 g/mol. Its IUPAC name is 4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium
PubChem CID123199268
Molecular FormulaC5H12O4P+
Molecular Weight167.12 g/mol
Exact Mass167.05
IUPAC Name4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium
SMILESCC(CC(O)CO)[P+](=O)O
InChIInChI=1S/C5H11O4P/c1-4(10(8)9)2-5(7)3-6/h4-7H,2-3H2,1H3/p+1
InChIKeyLNRREMXHQCKRPZ-UHFFFAOYSA-O
XLogP-0.15
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy(oxo)phosphanium;propane-1,2,3-triol
CID 87878528
(2S)-4-methylpentane-1,2-diol;sulfane
CID 159079830
4-aminopentane-1,2-diol
CID 12701364
propane-1,2,3-triol;propan-2-ol;hydrochloride
CID 174488065
1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium
CID 87424977
(3S,5R)-3,5,6-trihydroxyhexan-2-one
CID 141478041
2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063
(7S)-7,8-dihydroxy-2,5-dimethyloct-1-en-1-one
CID 142382637
1-iodoethanol;propane-1,2,3-triol
CID 175431347
ethene;propane;propane-1,2,3-triol
CID 87089727
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
4-methoxyhexane-1,2,5-triol
CID 18427201

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium?
The IUPAC name of 4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium (CID 123199268) is 4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium.
What is the SMILES notation for 4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium?
The canonical SMILES for 4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium is CC(CC(O)CO)[P+](=O)O.
What is the InChIKey of 4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium?
The InChIKey is LNRREMXHQCKRPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11O4P/c1-4(10(8)9)2-5(7)3-6/h4-7H,2-3H2,1H3/p+1.
What are the key properties of 4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium?
4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium has a molecular weight of 167.12 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxypentan-2-yl-hydroxy-oxophosphanium is sourced from PubChem (CID 123199268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).