(2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol

C17H26N6O10 — CID 122203979

IUPAC(2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](OCc2cn(Cn3ncc(CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)n3)nn2)OC[C@H]1O
InChIInChI=1S/C17H26N6O10/c24-10-5-32-16(14(28)12(10)26)30-3-8-1-18-23(20-8)7-22-2-9(19-21-22)4-31-17-15(29)13(27)11(25)6-33-17/h1-2,10-17,24-29H,3-7H2/t10-,11-,12+,13+,14-,15-,16-,17-/m1/s1
InChIKeyPNJUJOQDVVNFFD-LTLPSTFDSA-N
MW474.43 g/mol
LogP-4.71
Rot. Bonds8

About (2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol

(2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol (PubChem CID 122203979) has the molecular formula C17H26N6O10 and a molecular weight of 474.43 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
PubChem CID122203979
Molecular FormulaC17H26N6O10
Molecular Weight474.43 g/mol
Exact Mass474.17
IUPAC Name(2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](OCc2cn(Cn3ncc(CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)n3)nn2)OC[C@H]1O
InChIInChI=1S/C17H26N6O10/c24-10-5-32-16(14(28)12(10)26)30-3-8-1-18-23(20-8)7-22-2-9(19-21-22)4-31-17-15(29)13(27)11(25)6-33-17/h1-2,10-17,24-29H,3-7H2/t10-,11-,12+,13+,14-,15-,16-,17-/m1/s1
InChIKeyPNJUJOQDVVNFFD-LTLPSTFDSA-N
XLogP-4.71
TPSA219.72 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500474.43
LogP ≤ 5-4.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze (2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[1-[[4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
CID 122203978
(2R,3R,4S,5R)-2-(2H-triazol-4-ylmethoxy)oxane-3,4,5-triol
CID 141367770
(2R,3R,4S,5R)-2-[2-(4-pyridin-2-yltriazol-1-yl)ethoxy]oxane-3,4,5-triol
CID 102277498
(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,3S,4R,5S)-2-phenylmethoxyoxane-3,4,5-triol
CID 11564962
2-ethoxyoxane-3,4,5-triol
CID 22495206
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
(2R,3R,4S,5R,6S)-2-[(1-octadecyltriazol-4-yl)methoxy]-6-[[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1-octadecyltriazol-4-yl)methoxy]oxan-2-yl]methyldisulfanyl]methyl]oxane-3,4,5-triol
CID 102266803
1-[1-[[4-(cyclohexylmethyl)triazol-2-yl]methyl]triazol-4-yl]-2-(2,4-difluorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 122227572
methanol;(2R,4S,5R)-2-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 159923464
(2R,3R,4S,5S,6R)-2-[[1-(1-adamantyl)triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44610848

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol (CID 122203979) is (2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](OCc2cn(Cn3ncc(CO[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)n3)nn2)OC[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol?
The InChIKey is PNJUJOQDVVNFFD-LTLPSTFDSA-N. The full InChI is InChI=1S/C17H26N6O10/c24-10-5-32-16(14(28)12(10)26)30-3-8-1-18-23(20-8)7-22-2-9(19-21-22)4-31-17-15(29)13(27)11(25)6-33-17/h1-2,10-17,24-29H,3-7H2/t10-,11-,12+,13+,14-,15-,16-,17-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol?
(2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 474.43 g/mol, XLogP of -4.71, 8 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[[1-[[4-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]triazol-2-yl]methyl]triazol-4-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 122203979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).