(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol

C13H15N3O4 — CID 44590198

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cc(-c3ccccc3)nn2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H15N3O4/c17-7-10-11(18)12(19)13(20-10)16-6-9(14-15-16)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2/t10-,11-,12+,13-/m1/s1
InChIKeyIZXPDNZLJCHUNY-FVCCEPFGSA-N
MW277.28 g/mol
LogP-0.44
Rot. Bonds3

About (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol

(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol (PubChem CID 44590198) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol
PubChem CID44590198
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cc(-c3ccccc3)nn2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C13H15N3O4/c17-7-10-11(18)12(19)13(20-10)16-6-9(14-15-16)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2/t10-,11-,12+,13-/m1/s1
InChIKeyIZXPDNZLJCHUNY-FVCCEPFGSA-N
XLogP-0.44
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol with MolForge

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Related Compounds

Nucleosides
CID 139092512
1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole
CID 11565773
1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole
CID 44620950
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(4-phenyltriazol-1-yl)tetrahydropyran-3,4,5-triol
CID 57397425
N-[(4-Phenyl-1h-1,2,3-Triazol-1-Yl)acetyl]-Beta-D-Glucopyranosylamine
CID 24757924
1-beta-D-glucopyranosyl-4-naphthalen-2-yl-1H-1,2,3-triazole
CID 44620949
4-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]benzenesulfonamide
CID 24823300
4-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazol-4-yl]benzenesulfonamide
CID 24823302
4-[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]benzenesulfonamide
CID 24823479
4-[1-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]benzenesulfonamide
CID 24823632
4-[1-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]triazol-4-yl]benzenesulfonamide
CID 24823633
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]oxane-3,4,5-triol
CID 46893411

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol (CID 44590198) is (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol is OC[C@H]1O[C@@H](n2cc(-c3ccccc3)nn2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol?
The InChIKey is IZXPDNZLJCHUNY-FVCCEPFGSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-7-10-11(18)12(19)13(20-10)16-6-9(14-15-16)8-4-2-1-3-5-8/h1-6,10-13,17-19H,7H2/t10-,11-,12+,13-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol has a molecular weight of 277.28 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-5-(4-phenyltriazol-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 44590198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).