[(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate

C10H16O5 — CID 88935779

IUPAC[(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate
SMILES[3H][C@H]1CC(OC(=O)CCC(C)=O)[C@@H](CO)O1
InChIInChI=1S/C10H16O5/c1-7(12)2-3-10(13)15-8-4-5-14-9(8)6-11/h8-9,11H,2-6H2,1H3/t8?,9-/m1/s1/i5T/t5-,8?,9+/m0
InChIKeyUILGJPJZTPYJKW-JYNUSNAZSA-N
MW218.24 g/mol
LogP0.05
Rot. Bonds5

About [(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate

[(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate (PubChem CID 88935779) has the molecular formula C10H16O5 and a molecular weight of 218.24 g/mol. Its IUPAC name is [(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate.

Molecular Properties

Compound Name[(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate
PubChem CID88935779
Molecular FormulaC10H16O5
Molecular Weight218.24 g/mol
Exact Mass218.11
IUPAC Name[(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate
SMILES[3H][C@H]1CC(OC(=O)CCC(C)=O)[C@@H](CO)O1
InChIInChI=1S/C10H16O5/c1-7(12)2-3-10(13)15-8-4-5-14-9(8)6-11/h8-9,11H,2-6H2,1H3/t8?,9-/m1/s1/i5T/t5-,8?,9+/m0
InChIKeyUILGJPJZTPYJKW-JYNUSNAZSA-N
XLogP0.05
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,5S)-2-[(2,2,2-trichloro-1-hydroxyethoxy)methyl]-5-tritiooxolan-3-yl] 4-oxopentanoate
CID 89240280
[6-(4-oxopentanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-oxopentanoate
CID 59456178
[(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
methyl (2S,5S)-2-(hydroxymethyl)-5-tritiooxolane-3-carboxylate
CID 89172430
[(3R,4S,5R,6R)-6-chloro-4,5-bis(4-oxopentanoyloxy)oxan-3-yl] 4-oxopentanoate
CID 10552043
[2-(hydroxymethyl)oxan-3-yl] acetate
CID 164943022
CID 90393235
CID 90393235
[(2S,3R,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-oxopentanoate
CID 101358083
[(1S,3aS,4R,6aS)-4-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl] 5-oxohexanoate
CID 122693457
[(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium
CID 161244881
5-[[(3S,3aR,6S,6aR)-3-(5-oxohexanoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-oxopentanoic acid
CID 118404310

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate?
The IUPAC name of [(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate (CID 88935779) is [(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate.
What is the SMILES notation for [(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate?
The canonical SMILES for [(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate is [3H][C@H]1CC(OC(=O)CCC(C)=O)[C@@H](CO)O1.
What is the InChIKey of [(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate?
The InChIKey is UILGJPJZTPYJKW-JYNUSNAZSA-N. The full InChI is InChI=1S/C10H16O5/c1-7(12)2-3-10(13)15-8-4-5-14-9(8)6-11/h8-9,11H,2-6H2,1H3/t8?,9-/m1/s1/i5T/t5-,8?,9+/m0.
What are the key properties of [(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate?
[(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate has a molecular weight of 218.24 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate is sourced from PubChem (CID 88935779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).