[(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol

C5H11NO2 — CID 134865899

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

About [(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol

[(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol (PubChem CID 134865899) has the molecular formula C5H11NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is [(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol
PubChem CID134865899
Molecular FormulaC5H11NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name[(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol
SMILES[3H][C@H]1C[C@@H](N)[C@@H](CO)O1
InChIInChI=1S/C5H11NO2/c6-4-1-2-8-5(4)3-7/h4-5,7H,1-3,6H2/t4-,5-/m1/s1/i2T/t2-,4+,5+/m0
InChIKeyIGQVNANAWQMFRK-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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol?
The IUPAC name of [(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol (CID 134865899) is [(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol?
The canonical SMILES for [(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol is [3H][C@H]1C[C@@H](N)[C@@H](CO)O1.
What is the InChIKey of [(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol?
The InChIKey is IGQVNANAWQMFRK-WVXSJSFTSA-N. The full InChI is InChI=1S/C5H11NO2/c6-4-1-2-8-5(4)3-7/h4-5,7H,1-3,6H2/t4-,5-/m1/s1/i2T/t2-,4+,5+/m0.
What are the key properties of [(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol?
[(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol 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 [(2S,3R,5S)-3-amino-5-tritiooxolan-2-yl]methanol is sourced from PubChem (CID 134865899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).