(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol

C23H23N5O7 — CID 102393206

IUPAC(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCc2cn(-c3ccc(-c4noc(-c5ccccc5)n4)cc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H23N5O7/c29-11-17-18(30)19(31)20(32)23(34-17)33-12-15-10-28(27-25-15)16-8-6-13(7-9-16)21-24-22(35-26-21)14-4-2-1-3-5-14/h1-10,17-20,23,29-32H,11-12H2/t17-,18-,19+,20+,23+/m1/s1
InChIKeyVMXKINDWSKSXHD-WCZGSDDISA-N
MW481.47 g/mol
LogP0.30
Rot. Bonds7

About (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol (PubChem CID 102393206) has the molecular formula C23H23N5O7 and a molecular weight of 481.47 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
PubChem CID102393206
Molecular FormulaC23H23N5O7
Molecular Weight481.47 g/mol
Exact Mass481.16
IUPAC Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCc2cn(-c3ccc(-c4noc(-c5ccccc5)n4)cc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H23N5O7/c29-11-17-18(30)19(31)20(32)23(34-17)33-12-15-10-28(27-25-15)16-8-6-13(7-9-16)21-24-22(35-26-21)14-4-2-1-3-5-14/h1-10,17-20,23,29-32H,11-12H2/t17-,18-,19+,20+,23+/m1/s1
InChIKeyVMXKINDWSKSXHD-WCZGSDDISA-N
XLogP0.30
TPSA169.01 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

3',6'-dihydroxy-5-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 122390094
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(1-phenyltriazol-4-yl)methylsulfanyl]oxane-3,4,5-triol
CID 72543874
(2R,3R,4S,5S,6R)-2-[[1-(1-adamantyl)triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44610848
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyltriazol-1-yl)ethoxy]oxane-3,4,5-triol
CID 102169491
(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
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(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,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis[[1-(4-nitrophenyl)triazol-4-yl]methoxy]oxan-3-ol
CID 53390628
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[3-(phenylmethoxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenyl]methoxy]oxane-3,4,5-triol
CID 102068966
3-(1-phenyltriazol-4-yl)-N-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanamide
CID 126842899
dimethyl-(naphthalen-2-ylmethyl)-[2-[2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]triazol-1-yl]ethoxy]ethyl]azanium
CID 132942342

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol (CID 102393206) is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol is OC[C@H]1O[C@H](OCc2cn(-c3ccc(-c4noc(-c5ccccc5)n4)cc3)nn2)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol?
The InChIKey is VMXKINDWSKSXHD-WCZGSDDISA-N. The full InChI is InChI=1S/C23H23N5O7/c29-11-17-18(30)19(31)20(32)23(34-17)33-12-15-10-28(27-25-15)16-8-6-13(7-9-16)21-24-22(35-26-21)14-4-2-1-3-5-14/h1-10,17-20,23,29-32H,11-12H2/t17-,18-,19+,20+,23+/m1/s1.
What are the key properties of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol?
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 481.47 g/mol, XLogP of 0.30, 7 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]triazol-4-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 102393206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).