(2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

C22H37N7O13 — CID 86277907

IUPAC(2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC(CO)(COCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)COCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
InChIInChI=1S/C22H37N7O13/c23-22(7-32,8-39-5-10-1-28(26-24-10)20-18(37)16(35)14(33)12(3-30)41-20)9-40-6-11-2-29(27-25-11)21-19(38)17(36)15(34)13(4-31)42-21/h1-2,12-21,30-38H,3-9,23H2/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-/m1/s1
InChIKeyLIKZOUOQQBEORP-NMGJRLANSA-N
MW607.57 g/mol
LogP-6.76
Rot. Bonds13

About (2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 86277907) has the molecular formula C22H37N7O13 and a molecular weight of 607.57 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID86277907
Molecular FormulaC22H37N7O13
Molecular Weight607.57 g/mol
Exact Mass607.24
IUPAC Name(2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESNC(CO)(COCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)COCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
InChIInChI=1S/C22H37N7O13/c23-22(7-32,8-39-5-10-1-28(26-24-10)20-18(37)16(35)14(33)12(3-30)41-20)9-40-6-11-2-29(27-25-11)21-19(38)17(36)15(34)13(4-31)42-21/h1-2,12-21,30-38H,3-9,23H2/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-/m1/s1
InChIKeyLIKZOUOQQBEORP-NMGJRLANSA-N
XLogP-6.76
TPSA306.43 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500607.57
LogP ≤ 5-6.76
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze (2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 86277907) is (2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is NC(CO)(COCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)COCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is LIKZOUOQQBEORP-NMGJRLANSA-N. The full InChI is InChI=1S/C22H37N7O13/c23-22(7-32,8-39-5-10-1-28(26-24-10)20-18(37)16(35)14(33)12(3-30)41-20)9-40-6-11-2-29(27-25-11)21-19(38)17(36)15(34)13(4-31)42-21/h1-2,12-21,30-38H,3-9,23H2/t12-,13-,14+,15+,16+,17+,18-,19-,20-,21-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 607.57 g/mol, XLogP of -6.76, 13 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-[4-[[2-amino-2-(hydroxymethyl)-3-[[1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methoxy]propoxy]methyl]triazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 86277907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).