ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol

C19H26O5 — CID 142969500

IUPACethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol
SMILESCC.Cc1ccc2cc(O[C@H]3C[C@@H](O)[C@@H](O)[C@@H](CO)O3)ccc2c1
InChIInChI=1S/C17H20O5.C2H6/c1-10-2-3-12-7-13(5-4-11(12)6-10)21-16-8-14(19)17(20)15(9-18)22-16;1-2/h2-7,14-20H,8-9H2,1H3;1-2H3/t14-,15-,16-,17-;/m1./s1
InChIKeyAHQCOFUVGHWIBR-WHWUUVKISA-N
MW334.41 g/mol
LogP2.38
Rot. Bonds3

About ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol

ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol (PubChem CID 142969500) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol.

Molecular Properties

Compound Nameethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol
PubChem CID142969500
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Nameethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol
SMILESCC.Cc1ccc2cc(O[C@H]3C[C@@H](O)[C@@H](O)[C@@H](CO)O3)ccc2c1
InChIInChI=1S/C17H20O5.C2H6/c1-10-2-3-12-7-13(5-4-11(12)6-10)21-16-8-14(19)17(20)15(9-18)22-16;1-2/h2-7,14-20H,8-9H2,1H3;1-2H3/t14-,15-,16-,17-;/m1./s1
InChIKeyAHQCOFUVGHWIBR-WHWUUVKISA-N
XLogP2.38
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4-diol
CID 164565492
7-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-methylchromen-2-one;methanol
CID 160690147
7-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-methyl-3,4-dihydrochromen-2-one
CID 59967030
2-(hydroxymethyl)-6-(4-methylphenoxy)oxan-3-ol
CID 76682354
[4-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl N-methylcarbamate;ethane
CID 164565475
2-(hydroxymethyl)-6-(2-methylquinolin-8-yl)oxyoxane-3,4-diol
CID 142590144
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-methylphenoxy)oxane-2,4,5-triol
CID 21128476
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(3S)-2-(hydroxymethyl)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxane-3,4-diol
CID 170396579
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
(2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 71040889

Frequently Asked Questions

What is the IUPAC name of ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol?
The IUPAC name of ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol (CID 142969500) is ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol.
What is the SMILES notation for ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol?
The canonical SMILES for ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol is CC.Cc1ccc2cc(O[C@H]3C[C@@H](O)[C@@H](O)[C@@H](CO)O3)ccc2c1.
What is the InChIKey of ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol?
The InChIKey is AHQCOFUVGHWIBR-WHWUUVKISA-N. The full InChI is InChI=1S/C17H20O5.C2H6/c1-10-2-3-12-7-13(5-4-11(12)6-10)21-16-8-14(19)17(20)15(9-18)22-16;1-2/h2-7,14-20H,8-9H2,1H3;1-2H3/t14-,15-,16-,17-;/m1./s1.
What are the key properties of ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol?
ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol has a molecular weight of 334.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol is sourced from PubChem (CID 142969500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).