[(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium

C7H14O3P+ — CID 161244881

IUPAC[(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium
SMILES[3H][C@@H]1CC(O[P+](C)=O)[C@@H](CC)O1
InChIInChI=1S/C7H14O3P/c1-3-6-7(4-5-9-6)10-11(2)8/h6-7H,3-5H2,1-2H3/q+1/t6-,7?/m1/s1/i5T/t5-,6-,7?
InChIKeyYKRLHQZYFCHNPC-NTBCJBIKSA-N
MW179.17 g/mol
LogP1.94
Rot. Bonds3

About [(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium

[(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium (PubChem CID 161244881) has the molecular formula C7H14O3P+ and a molecular weight of 179.17 g/mol. Its IUPAC name is [(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium.

Molecular Properties

Compound Name[(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium
PubChem CID161244881
Molecular FormulaC7H14O3P+
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name[(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium
SMILES[3H][C@@H]1CC(O[P+](C)=O)[C@@H](CC)O1
InChIInChI=1S/C7H14O3P/c1-3-6-7(4-5-9-6)10-11(2)8/h6-7H,3-5H2,1-2H3/q+1/t6-,7?/m1/s1/i5T/t5-,6-,7?
InChIKeyYKRLHQZYFCHNPC-NTBCJBIKSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium?
The IUPAC name of [(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium (CID 161244881) is [(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium.
What is the SMILES notation for [(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium?
The canonical SMILES for [(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium is [3H][C@@H]1CC(O[P+](C)=O)[C@@H](CC)O1.
What is the InChIKey of [(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium?
The InChIKey is YKRLHQZYFCHNPC-NTBCJBIKSA-N. The full InChI is InChI=1S/C7H14O3P/c1-3-6-7(4-5-9-6)10-11(2)8/h6-7H,3-5H2,1-2H3/q+1/t6-,7?/m1/s1/i5T/t5-,6-,7?.
What are the key properties of [(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium?
[(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium has a molecular weight of 179.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium is sourced from PubChem (CID 161244881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).