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

C7H11N3O4 — CID 70544404

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol
SMILESOC[C@H]1OC(n2ccnn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H11N3O4/c11-3-4-5(12)6(13)7(14-4)10-2-1-8-9-10/h1-2,4-7,11-13H,3H2/t4-,5-,6-,7?/m1/s1
InChIKeyWRHXOYDMEVITTI-RKEPMNIXSA-N
MW201.18 g/mol
LogP-2.11
Rot. Bonds2

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

(2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol (PubChem CID 70544404) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol
PubChem CID70544404
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol
SMILESOC[C@H]1OC(n2ccnn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H11N3O4/c11-3-4-5(12)6(13)7(14-4)10-2-1-8-9-10/h1-2,4-7,11-13H,3H2/t4-,5-,6-,7?/m1/s1
InChIKeyWRHXOYDMEVITTI-RKEPMNIXSA-N
XLogP-2.11
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate
CID 146037614
(2S,3S,4S,5R)-2-(2-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 45093396
(3R,4S,5S,6R)-2-[4-[[bis[[1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118051780
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide
CID 69091440
(2R,3R,4S,5R)-2-(4-tert-butyltriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 25098700
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70641093
(2R,3R,4S,5S,6R)-2-[4-[amino-bis[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134519798
1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazole-4-carboxylate
CID 91934062
1-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 70989848
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(4-pyridin-2-yltriazol-1-yl)oxane-3,4,5-triol
CID 46885335
sodium 1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazole-4-carboxylate
CID 46232679
(2R,5R)-2-(hydroxymethyl)-5-[3-(1H-pyrazol-5-yl)-1,2,4-triazol-1-yl]oxolane-3,4-diol
CID 70885247

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol (CID 70544404) is (2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol is OC[C@H]1OC(n2ccnn2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol?
The InChIKey is WRHXOYDMEVITTI-RKEPMNIXSA-N. The full InChI is InChI=1S/C7H11N3O4/c11-3-4-5(12)6(13)7(14-4)10-2-1-8-9-10/h1-2,4-7,11-13H,3H2/t4-,5-,6-,7?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol has a molecular weight of 201.18 g/mol, XLogP of -2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 70544404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).