(2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol

C5H11NO2 — CID 91388347

IUPAC(2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol
SMILES[3H][C@H]1C[C@@H](O)[C@@H](CN)O1
InChIInChI=1S/C5H11NO2/c6-3-5-4(7)1-2-8-5/h4-5,7H,1-3,6H2/t4-,5-/m1/s1/i2T/t2-,4+,5+/m0
InChIKeyHCTHRVVKECQUJT-WVXSJSFTSA-N
MW119.16 g/mol
LogP-0.91
Rot. Bonds1

About (2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol

(2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol (PubChem CID 91388347) has the molecular formula C5H11NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is (2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol
PubChem CID91388347
Molecular FormulaC5H11NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name(2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol
SMILES[3H][C@H]1C[C@@H](O)[C@@H](CN)O1
InChIInChI=1S/C5H11NO2/c6-3-5-4(7)1-2-8-5/h4-5,7H,1-3,6H2/t4-,5-/m1/s1/i2T/t2-,4+,5+/m0
InChIKeyHCTHRVVKECQUJT-WVXSJSFTSA-N
XLogP-0.91
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol with MolForge

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Related Compounds

(2R,3S,5S)-2-[(E)-4-[(2S,3S,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl]but-2-enyl]-5-tritiooxolan-3-ol
CID 135013680
[(4R,5R)-5-(aminomethyl)-1,3-dioxolan-4-yl]methanamine
CID 10441741
cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol
CID 42614397
trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol
CID 42614402
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
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
[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
[(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium
CID 161244881
oxiran-2-ylmethanamine;trihydrochloride
CID 175135913
[(2R,3S)-3-methyloxolan-2-yl]methanamine;hydrochloride
CID 171921112
[5-(aminomethyl)oxolan-2-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220593
(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol
CID 89194762

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol (CID 91388347) is (2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol is [3H][C@H]1C[C@@H](O)[C@@H](CN)O1.
What is the InChIKey of (2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol?
The InChIKey is HCTHRVVKECQUJT-WVXSJSFTSA-N. The full InChI is InChI=1S/C5H11NO2/c6-3-5-4(7)1-2-8-5/h4-5,7H,1-3,6H2/t4-,5-/m1/s1/i2T/t2-,4+,5+/m0.
What are the key properties of (2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol?
(2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol has a molecular weight of 119.16 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol is sourced from PubChem (CID 91388347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).