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

C18H22O5 — CID 71169892

IUPAC(2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol
SMILESOCC1O[C@@H](O)C(O)[C@@H](CCc2ccc3ccccc3c2)[C@@H]1O
InChIInChI=1S/C18H22O5/c19-10-15-16(20)14(17(21)18(22)23-15)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-5,7,9,14-22H,6,8,10H2/t14-,15?,16-,17?,18+/m0/s1
InChIKeyVKOLCHUOPLRSNO-JDIAZBHJSA-N
MW318.37 g/mol
LogP0.82
Rot. Bonds4

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

(2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol (PubChem CID 71169892) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol.

Molecular Properties

Compound Name(2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol
PubChem CID71169892
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name(2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol
SMILESOCC1O[C@@H](O)C(O)[C@@H](CCc2ccc3ccccc3c2)[C@@H]1O
InChIInChI=1S/C18H22O5/c19-10-15-16(20)14(17(21)18(22)23-15)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-5,7,9,14-22H,6,8,10H2/t14-,15?,16-,17?,18+/m0/s1
InChIKeyVKOLCHUOPLRSNO-JDIAZBHJSA-N
XLogP0.82
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R,5S)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolane-2,3-diol
CID 174151377
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentaphene
CID 159584072
(3R,4R,5R,6R)-6-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]oxane-2,4,5-triol
CID 25115878
(3R,4R,5S,6R)-6-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]oxane-2,4,5-triol
CID 25115877
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol
CID 67748326
(2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 7099542
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 2724405
(2R,4S,5S)-2-[ethoxy(naphthalen-2-ylmethyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89348938
4-(2-naphthalen-2-ylethyl)piperidine
CID 43146715
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4-(naphthalen-2-ylmethoxy)-5-phenylmethoxy-6-phenylsulfanyloxan-3-ol
CID 11961727

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol?
The IUPAC name of (2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol (CID 71169892) is (2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol.
What is the SMILES notation for (2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol?
The canonical SMILES for (2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol is OCC1O[C@@H](O)C(O)[C@@H](CCc2ccc3ccccc3c2)[C@@H]1O.
What is the InChIKey of (2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol?
The InChIKey is VKOLCHUOPLRSNO-JDIAZBHJSA-N. The full InChI is InChI=1S/C18H22O5/c19-10-15-16(20)14(17(21)18(22)23-15)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-5,7,9,14-22H,6,8,10H2/t14-,15?,16-,17?,18+/m0/s1.
What are the key properties of (2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol?
(2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol has a molecular weight of 318.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-6-(hydroxymethyl)-4-(2-naphthalen-2-ylethyl)oxane-2,3,5-triol is sourced from PubChem (CID 71169892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).