chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium

C8H17ClO5P+ — CID 118595337

IUPACchloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium
SMILESCO[P+](O)(Cl)OC1C(CO)OC(C)C1C
InChIInChI=1S/C8H17ClO5P/c1-5-6(2)13-7(4-10)8(5)14-15(9,11)12-3/h5-8,10-11H,4H2,1-3H3/q+1
InChIKeyUTDPFLLQFCWAIM-UHFFFAOYSA-N
MW259.65 g/mol
LogP1.34
Rot. Bonds4

About chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium

chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium (PubChem CID 118595337) has the molecular formula C8H17ClO5P+ and a molecular weight of 259.65 g/mol. Its IUPAC name is chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium.

Molecular Properties

Compound Namechloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium
PubChem CID118595337
Molecular FormulaC8H17ClO5P+
Molecular Weight259.65 g/mol
Exact Mass259.05
IUPAC Namechloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium
SMILESCO[P+](O)(Cl)OC1C(CO)OC(C)C1C
InChIInChI=1S/C8H17ClO5P/c1-5-6(2)13-7(4-10)8(5)14-15(9,11)12-3/h5-8,10-11H,4H2,1-3H3/q+1
InChIKeyUTDPFLLQFCWAIM-UHFFFAOYSA-N
XLogP1.34
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium?
The IUPAC name of chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium (CID 118595337) is chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium.
What is the SMILES notation for chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium?
The canonical SMILES for chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium is CO[P+](O)(Cl)OC1C(CO)OC(C)C1C.
What is the InChIKey of chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium?
The InChIKey is UTDPFLLQFCWAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17ClO5P/c1-5-6(2)13-7(4-10)8(5)14-15(9,11)12-3/h5-8,10-11H,4H2,1-3H3/q+1.
What are the key properties of chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium?
chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium has a molecular weight of 259.65 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium is sourced from PubChem (CID 118595337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).