1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium

C4H10O6P+ — CID 88620344

IUPAC1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCOC(CO)CO
InChIInChI=1S/C4H9O6P/c5-1-4(2-6)9-3-10-11(7)8/h4-6H,1-3H2/p+1
InChIKeyZDQZIUGBZWIZIC-UHFFFAOYSA-O
MW185.09 g/mol
LogP-1.02
Rot. Bonds6

About 1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium

1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium (PubChem CID 88620344) has the molecular formula C4H10O6P+ and a molecular weight of 185.09 g/mol. Its IUPAC name is 1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium
PubChem CID88620344
Molecular FormulaC4H10O6P+
Molecular Weight185.09 g/mol
Exact Mass185.02
IUPAC Name1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium
SMILESO=[P+](O)OCOC(CO)CO
InChIInChI=1S/C4H9O6P/c5-1-4(2-6)9-3-10-11(7)8/h4-6H,1-3H2/p+1
InChIKeyZDQZIUGBZWIZIC-UHFFFAOYSA-O
XLogP-1.02
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.09
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium?
The IUPAC name of 1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium (CID 88620344) is 1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium?
The canonical SMILES for 1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium is O=[P+](O)OCOC(CO)CO.
What is the InChIKey of 1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium?
The InChIKey is ZDQZIUGBZWIZIC-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9O6P/c5-1-4(2-6)9-3-10-11(7)8/h4-6H,1-3H2/p+1.
What are the key properties of 1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium?
1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium has a molecular weight of 185.09 g/mol, XLogP of -1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypropan-2-yloxymethoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 88620344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).