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

C14H16N2O6 — CID 45267421

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2nnc(-c3ccccc3)o2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H16N2O6/c17-6-8-9(18)10(19)11(20)12(21-8)14-16-15-13(22-14)7-4-2-1-3-5-7/h1-5,8-12,17-20H,6H2/t8-,9-,10+,11-,12-/m1/s1
InChIKeyMKDOCLRSYSSLSH-RMPHRYRLSA-N
MW308.29 g/mol
LogP-0.75
Rot. Bonds3

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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol (PubChem CID 45267421) has the molecular formula C14H16N2O6 and a molecular weight of 308.29 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
PubChem CID45267421
Molecular FormulaC14H16N2O6
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2nnc(-c3ccccc3)o2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H16N2O6/c17-6-8-9(18)10(19)11(20)12(21-8)14-16-15-13(22-14)7-4-2-1-3-5-7/h1-5,8-12,17-20H,6H2/t8-,9-,10+,11-,12-/m1/s1
InChIKeyMKDOCLRSYSSLSH-RMPHRYRLSA-N
XLogP-0.75
TPSA129.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol (CID 45267421) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](c2nnc(-c3ccccc3)o2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
The InChIKey is MKDOCLRSYSSLSH-RMPHRYRLSA-N. The full InChI is InChI=1S/C14H16N2O6/c17-6-8-9(18)10(19)11(20)12(21-8)14-16-15-13(22-14)7-4-2-1-3-5-7/h1-5,8-12,17-20H,6H2/t8-,9-,10+,11-,12-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol has a molecular weight of 308.29 g/mol, XLogP of -0.75, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-phenyl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol is sourced from PubChem (CID 45267421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).