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

C18H22O6 — CID 100994417

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OCCc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H22O6/c19-10-14-15(20)16(21)17(22)18(24-14)23-9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14-22H,8-10H2/t14-,15-,16+,17-,18-/m1/s1
InChIKeyCFFQRHTWQPXZID-UYTYNIKBSA-N
MW334.37 g/mol
LogP0.20
Rot. Bonds5

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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol (PubChem CID 100994417) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol
PubChem CID100994417
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OCCc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H22O6/c19-10-14-15(20)16(21)17(22)18(24-14)23-9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14-22H,8-10H2/t14-,15-,16+,17-,18-/m1/s1
InChIKeyCFFQRHTWQPXZID-UYTYNIKBSA-N
XLogP0.20
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol (CID 100994417) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol is OC[C@H]1O[C@@H](OCCc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol?
The InChIKey is CFFQRHTWQPXZID-UYTYNIKBSA-N. The full InChI is InChI=1S/C18H22O6/c19-10-14-15(20)16(21)17(22)18(24-14)23-9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14-22H,8-10H2/t14-,15-,16+,17-,18-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol has a molecular weight of 334.37 g/mol, XLogP of 0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol is sourced from PubChem (CID 100994417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).