(2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol

C14H19N3O3 — CID 134836321

IUPAC(2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol
SMILES[3H][C@H]1C[C@H](O)[C@@H](Cc2cn([C@H]3C[C@H]([3H])O[C@@H]3CC#C)nn2)O1
InChIInChI=1S/C14H19N3O3/c1-2-3-13-11(4-6-19-13)17-9-10(15-16-17)8-14-12(18)5-7-20-14/h1,9,11-14,18H,3-8H2/t11-,12-,13+,14+/m0/s1/i6T,7T/t6-,7-,11-,12-,13+,14+
InChIKeyQKPLQNOIOUVHJG-FKUKFSARSA-N
MW281.34 g/mol
LogP0.32
Rot. Bonds4

About (2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol

(2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol (PubChem CID 134836321) has the molecular formula C14H19N3O3 and a molecular weight of 281.34 g/mol. Its IUPAC name is (2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol
PubChem CID134836321
Molecular FormulaC14H19N3O3
Molecular Weight281.34 g/mol
Exact Mass281.16
IUPAC Name(2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol
SMILES[3H][C@H]1C[C@H](O)[C@@H](Cc2cn([C@H]3C[C@H]([3H])O[C@@H]3CC#C)nn2)O1
InChIInChI=1S/C14H19N3O3/c1-2-3-13-11(4-6-19-13)17-9-10(15-16-17)8-14-12(18)5-7-20-14/h1,9,11-14,18H,3-8H2/t11-,12-,13+,14+/m0/s1/i6T,7T/t6-,7-,11-,12-,13+,14+
InChIKeyQKPLQNOIOUVHJG-FKUKFSARSA-N
XLogP0.32
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol with MolForge

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-octyltriazol-1-yl)oxolane-3,4-diol
CID 25169526
4-Hexyl-1-|A-D-ribofuranosyl-1H-1,2,3-triazole
CID 44444752
4-Octyl-1-|A-D-ribofuranosyl-1H-1,2,3-triazole
CID 44444753
(2R,3S,4S,5R)-2-(4-hexyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44590142
(2R,3S,4S,5R)-2-(4-decyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44590143
3-Deoxy-3-c-(4-(hex-1-yl)-1h-1,2,3-triazol-1-yl) methyl-beta-d-allofuranose
CID 129696281
(2S,3S,4S)-4-(5-propyltriazol-1-yl)-2-tetradecyloxolan-3-ol
CID 132508456
(2S,3S,4S)-4-(4-propyltriazol-1-yl)-2-tetradecyloxolan-3-ol
CID 134847623
(2S,3S,4R)-2-[4-(3-hydroxypropyl)triazol-1-yl]octane-1,3,4-triol
CID 44176714
CID 89410936
CID 89410936
CID 89410944
CID 89410944
(2R,3R,4S,5R)-2-(4-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 25098669

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol?
The IUPAC name of (2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol (CID 134836321) is (2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol.
What is the SMILES notation for (2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol?
The canonical SMILES for (2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol is [3H][C@H]1C[C@H](O)[C@@H](Cc2cn([C@H]3C[C@H]([3H])O[C@@H]3CC#C)nn2)O1.
What is the InChIKey of (2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol?
The InChIKey is QKPLQNOIOUVHJG-FKUKFSARSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-3-13-11(4-6-19-13)17-9-10(15-16-17)8-14-12(18)5-7-20-14/h1,9,11-14,18H,3-8H2/t11-,12-,13+,14+/m0/s1/i6T,7T/t6-,7-,11-,12-,13+,14+.
What are the key properties of (2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol?
(2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol has a molecular weight of 281.34 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5S)-2-[[1-[(2R,3S,5S)-2-prop-2-ynyl-5-tritiooxolan-3-yl]triazol-4-yl]methyl]-5-tritiooxolan-3-ol is sourced from PubChem (CID 134836321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).