(2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium

C5H9O6P — CID 175326602

IUPAC(2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium
SMILESCC(O)(C=O)C(O)CO[P+](=O)[O-]
InChIInChI=1S/C5H9O6P/c1-5(8,3-6)4(7)2-11-12(9)10/h3-4,7-8H,2H2,1H3
InChIKeyCYPLMQCGZIUERN-UHFFFAOYSA-N
MW196.09 g/mol
LogP-1.67
Rot. Bonds5

About (2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium

(2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium (PubChem CID 175326602) has the molecular formula C5H9O6P and a molecular weight of 196.09 g/mol. Its IUPAC name is (2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium.

Molecular Properties

Compound Name(2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium
PubChem CID175326602
Molecular FormulaC5H9O6P
Molecular Weight196.09 g/mol
Exact Mass196.01
IUPAC Name(2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium
SMILESCC(O)(C=O)C(O)CO[P+](=O)[O-]
InChIInChI=1S/C5H9O6P/c1-5(8,3-6)4(7)2-11-12(9)10/h3-4,7-8H,2H2,1H3
InChIKeyCYPLMQCGZIUERN-UHFFFAOYSA-N
XLogP-1.67
TPSA106.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium?
The IUPAC name of (2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium (CID 175326602) is (2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium.
What is the SMILES notation for (2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium?
The canonical SMILES for (2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium is CC(O)(C=O)C(O)CO[P+](=O)[O-].
What is the InChIKey of (2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium?
The InChIKey is CYPLMQCGZIUERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O6P/c1-5(8,3-6)4(7)2-11-12(9)10/h3-4,7-8H,2H2,1H3.
What are the key properties of (2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium?
(2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium has a molecular weight of 196.09 g/mol, XLogP of -1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxy-3-methyl-4-oxobutoxy)-oxido-oxophosphanium is sourced from PubChem (CID 175326602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).