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

C9H15N3O7 — CID 132546103

IUPAC(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol
SMILESOCc1cn(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1
InChIInChI=1S/C9H15N3O7/c13-2-4-1-12(11-10-4)19-9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8+,9-/m1/s1
InChIKeyWRTRUASMPNOWMW-XGQMLPDNSA-N
MW277.23 g/mol
LogP-4.00
Rot. Bonds4

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

(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol (PubChem CID 132546103) has the molecular formula C9H15N3O7 and a molecular weight of 277.23 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol
PubChem CID132546103
Molecular FormulaC9H15N3O7
Molecular Weight277.23 g/mol
Exact Mass277.09
IUPAC Name(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol
SMILESOCc1cn(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1
InChIInChI=1S/C9H15N3O7/c13-2-4-1-12(11-10-4)19-9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8+,9-/m1/s1
InChIKeyWRTRUASMPNOWMW-XGQMLPDNSA-N
XLogP-4.00
TPSA150.32 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 5-4.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[4-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]oxane-3,4,5-triol
CID 122394152
(2R,5S,6R)-2-[[1-[4-(aminomethyl)phenyl]triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 153319118
[(2S,3R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite
CID 139551811
[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hypoiodite
CID 70896300
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol
CID 173129842
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-indol-1-yloxyoxane-3,4,5-triol
CID 20631341
(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
(2R,3R,4S,5S,6R)-2-[[1-(1-adamantyl)triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44610848
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70386984
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol (CID 132546103) is (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol is OCc1cn(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)nn1.
What is the InChIKey of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol?
The InChIKey is WRTRUASMPNOWMW-XGQMLPDNSA-N. The full InChI is InChI=1S/C9H15N3O7/c13-2-4-1-12(11-10-4)19-9-8(17)7(16)6(15)5(3-14)18-9/h1,5-9,13-17H,2-3H2/t5-,6-,7+,8+,9-/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol?
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol has a molecular weight of 277.23 g/mol, XLogP of -4.00, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)triazol-1-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 132546103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).