[(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3R,5S)-2-(iodomethyl)-5-tritiooxolan-3-yl] acetate
CID 89019297
[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
[(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate
CID 88935779
3-[[(2R,3R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-[[(2R,3R,5S)-3-hydroxy-5-tritiooxolan-2-yl]methoxy]phosphinothioyl]oxypropanenitrile
CID 90707760
hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane
CID 58974553
methyl (2S,5S)-2-(hydroxymethyl)-5-tritiooxolane-3-carboxylate
CID 89172430
hydroxy-[(2R)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxophosphanium
CID 177282139
N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide
CID 134836320
(2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol
CID 91388347
4,5-diethyl-2,2-difluoro-1,3-dioxolane
CID 163770260
[(2R,5S)-2-[(2,2,2-trichloro-1-hydroxyethoxy)methyl]-5-tritiooxolan-3-yl] 4-oxopentanoate
CID 89240280
3-[chloro-[[(2R,3S)-2-ethyl-5-tritiooxolan-3-yl]methyl]phosphanyl]oxypropanenitrile
CID 59976665

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).