(2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol

C8H13N3O5 — CID 141367770

IUPAC(2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](OCc2cn[nH]n2)OC[C@H]1O
InChIInChI=1S/C8H13N3O5/c12-5-3-16-8(7(14)6(5)13)15-2-4-1-9-11-10-4/h1,5-8,12-14H,2-3H2,(H,9,10,11)/t5-,6+,7-,8-/m1/s1
InChIKeyWFDWODIDKIGLBX-ULAWRXDQSA-N
MW231.21 g/mol
LogP-2.24
Rot. Bonds3

About (2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol

(2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol (PubChem CID 141367770) has the molecular formula C8H13N3O5 and a molecular weight of 231.21 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol
PubChem CID141367770
Molecular FormulaC8H13N3O5
Molecular Weight231.21 g/mol
Exact Mass231.09
IUPAC Name(2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](OCc2cn[nH]n2)OC[C@H]1O
InChIInChI=1S/C8H13N3O5/c12-5-3-16-8(7(14)6(5)13)15-2-4-1-9-11-10-4/h1,5-8,12-14H,2-3H2,(H,9,10,11)/t5-,6+,7-,8-/m1/s1
InChIKeyWFDWODIDKIGLBX-ULAWRXDQSA-N
XLogP-2.24
TPSA120.72 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11253449
(2R,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919
(3R,4S,5R)-2-prop-2-enoxyoxane-3,4,5-triol
CID 54319451
(2R,3R,4S,5S)-2-(2-chloroethoxy)oxane-3,4,5-triol
CID 131000327
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040
2-(4,5-dihydroxy-6-phenylmethoxyoxan-3-yl)oxyoxane-3,4,5-triol
CID 155889463
methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 159923464
3-(2H-triazol-4-ylmethoxy)-2-azaspiro[3.3]heptane
CID 163404526
(3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol
CID 45093703
2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol
CID 20512830

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol (CID 141367770) is (2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](OCc2cn[nH]n2)OC[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol?
The InChIKey is WFDWODIDKIGLBX-ULAWRXDQSA-N. The full InChI is InChI=1S/C8H13N3O5/c12-5-3-16-8(7(14)6(5)13)15-2-4-1-9-11-10-4/h1,5-8,12-14H,2-3H2,(H,9,10,11)/t5-,6+,7-,8-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol?
(2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol has a molecular weight of 231.21 g/mol, XLogP of -2.24, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol is sourced from PubChem (CID 141367770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).