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

C18H18N2O6 — CID 45270007

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2nnc(-c3cccc4ccccc34)o2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)16(25-12)18-20-19-17(26-18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-16,21-24H,8H2/t12-,13-,14+,15-,16-/m1/s1
InChIKeyRWZNESOPADJWBM-IBEHDNSVSA-N
MW358.35 g/mol
LogP0.40
Rot. Bonds3

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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol (PubChem CID 45270007) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
PubChem CID45270007
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2nnc(-c3cccc4ccccc34)o2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)16(25-12)18-20-19-17(26-18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-16,21-24H,8H2/t12-,13-,14+,15-,16-/m1/s1
InChIKeyRWZNESOPADJWBM-IBEHDNSVSA-N
XLogP0.40
TPSA129.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.40
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-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol (CID 45270007) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-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-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](c2nnc(-c3cccc4ccccc34)o2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
The InChIKey is RWZNESOPADJWBM-IBEHDNSVSA-N. The full InChI is InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)16(25-12)18-20-19-17(26-18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-16,21-24H,8H2/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol has a molecular weight of 358.35 g/mol, XLogP of 0.40, 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-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)oxane-3,4,5-triol is sourced from PubChem (CID 45270007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).