(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol

C11H19N3O6 — CID 56838624

IUPAC(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol
SMILESCOCCn1cc([C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
InChIInChI=1S/C11H19N3O6/c1-19-3-2-14-4-6(12-13-14)11-10(18)9(17)8(16)7(5-15)20-11/h4,7-11,15-18H,2-3,5H2,1H3/t7-,8+,9+,10-,11-/m1/s1
InChIKeyMUINVDCRABIJFF-ZKKRXERASA-N
MW289.29 g/mol
LogP-2.56
Rot. Bonds5

About (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol

(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol (PubChem CID 56838624) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol
PubChem CID56838624
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol
SMILESCOCCn1cc([C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1
InChIInChI=1S/C11H19N3O6/c1-19-3-2-14-4-6(12-13-14)11-10(18)9(17)8(16)7(5-15)20-11/h4,7-11,15-18H,2-3,5H2,1H3/t7-,8+,9+,10-,11-/m1/s1
InChIKeyMUINVDCRABIJFF-ZKKRXERASA-N
XLogP-2.56
TPSA130.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-2.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-1-yl]phenyl]oxane-3,4,5-triol
CID 90354617
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyltriazol-1-yl)ethoxy]oxane-3,4,5-triol
CID 102169491
1-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]triazole-4-carbaldehyde
CID 163485190
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]oxan-3-yl]acetamide
CID 118248899
methyl 1-[[5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3,4-oxadiazol-2-yl]methyl]triazole-4-carboxylate
CID 53483731
N-[(2S,3R,4R,5S,6R)-2-[2-[4-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 71467188
1-(2-methoxyethyl)-4-phenyltriazole
CID 50852603
(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[2-[4-[[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59053329
N-tetradecyl-1-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]triazole-4-carboxamide
CID 102399262
(3R,4R,5R)-2-(2,6-diaminopyrimidin-4-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 56631883
(2S,3S,4S,5S,6R)-2-[2-[2-[2-[2-[2-[2-[4-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 139212609
2-(hydroxymethyl)-6-methoxy-4,5-bis[(1-octyltriazol-4-yl)methoxy]oxan-3-ol
CID 71588093

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol (CID 56838624) is (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol is COCCn1cc([C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1.
What is the InChIKey of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol?
The InChIKey is MUINVDCRABIJFF-ZKKRXERASA-N. The full InChI is InChI=1S/C11H19N3O6/c1-19-3-2-14-4-6(12-13-14)11-10(18)9(17)8(16)7(5-15)20-11/h4,7-11,15-18H,2-3,5H2,1H3/t7-,8+,9+,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol?
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol has a molecular weight of 289.29 g/mol, XLogP of -2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-[1-(2-methoxyethyl)triazol-4-yl]oxane-3,4,5-triol is sourced from PubChem (CID 56838624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).