(2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol

C12H15N3O6 — CID 25014090

IUPAC(2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](n2cc(COc3ccco3)nn2)OC[C@H]1O
InChIInChI=1S/C12H15N3O6/c16-8-6-21-12(11(18)10(8)17)15-4-7(13-14-15)5-20-9-2-1-3-19-9/h1-4,8,10-12,16-18H,5-6H2/t8-,10+,11-,12-/m1/s1
InChIKeyUPBSJVOLWCPBPA-SASUGWTJSA-N
MW297.27 g/mol
LogP-0.94
Rot. Bonds4

About (2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol

(2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol (PubChem CID 25014090) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol
PubChem CID25014090
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name(2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](n2cc(COc3ccco3)nn2)OC[C@H]1O
InChIInChI=1S/C12H15N3O6/c16-8-6-21-12(11(18)10(8)17)15-4-7(13-14-15)5-20-9-2-1-3-19-9/h1-4,8,10-12,16-18H,5-6H2/t8-,10+,11-,12-/m1/s1
InChIKeyUPBSJVOLWCPBPA-SASUGWTJSA-N
XLogP-0.94
TPSA123.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol with MolForge

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Related Compounds

2-[4-[(4-phenylphenoxy)methyl]triazol-1-yl]oxane-3,4,5-triol
CID 59360646
2-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360655
2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360693
(2S,3R,4S,5R)-2-[4-(phenylmethoxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 25011962
2-[4-[(4-nitrophenoxy)methyl]triazol-1-yl]oxane-3,4,5-triol
CID 59360726
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360678
(2R,3R,4S,5R)-2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol
CID 25014094
2-[4-(naphthalen-2-ylsulfanylmethyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360717
1-[(2R,5R)-3,4-dihydroxy-5-[[1-(3,4,5-trihydroxyoxan-2-yl)triazol-4-yl]methoxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 70880419
2-(4-phenyltriazol-1-yl)oxane-3,4,5-triol
CID 59360691
[(3R,4S,5R,6R)-4,5-diacetyloxy-6-[4-[(4-bromophenoxy)methyl]triazol-1-yl]oxan-3-yl] acetate
CID 25012129
[4,5-diacetyloxy-6-[4-(naphthalen-2-yloxymethyl)triazol-1-yl]oxan-3-yl] acetate
CID 59360706

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol (CID 25014090) is (2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](n2cc(COc3ccco3)nn2)OC[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol?
The InChIKey is UPBSJVOLWCPBPA-SASUGWTJSA-N. The full InChI is InChI=1S/C12H15N3O6/c16-8-6-21-12(11(18)10(8)17)15-4-7(13-14-15)5-20-9-2-1-3-19-9/h1-4,8,10-12,16-18H,5-6H2/t8-,10+,11-,12-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol?
(2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol has a molecular weight of 297.27 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[4-(furan-2-yloxymethyl)triazol-1-yl]oxane-3,4,5-triol is sourced from PubChem (CID 25014090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).