(2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol

C17H20O6 — CID 71040889

IUPAC(2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol
SMILESCO[C@H]1O[C@@H](Oc2ccc3cc(C)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H20O6/c1-9-3-4-11-8-12(6-5-10(11)7-9)22-17-15(20)13(18)14(19)16(21-2)23-17/h3-8,13-20H,1-2H3/t13-,14-,15+,16-,17+/m0/s1
InChIKeySHDHUDQUOLVOGN-ZOFXXKQRSA-N
MW320.34 g/mol
LogP0.94
Rot. Bonds3

About (2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol

(2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol (PubChem CID 71040889) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol
PubChem CID71040889
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name(2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol
SMILESCO[C@H]1O[C@@H](Oc2ccc3cc(C)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C17H20O6/c1-9-3-4-11-8-12(6-5-10(11)7-9)22-17-15(20)13(18)14(19)16(21-2)23-17/h3-8,13-20H,1-2H3/t13-,14-,15+,16-,17+/m0/s1
InChIKeySHDHUDQUOLVOGN-ZOFXXKQRSA-N
XLogP0.94
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4S,5R,6S)-2-methyl-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 70423930
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
CID 26917484
ethane;(2R,3R,4R,6S)-2-(hydroxymethyl)-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4-diol
CID 142969500
(2S,3R,4R,5S,6S)-2-(6-bromonaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6572881
(2R,3R,4R,5S,6S)-2-(6-bromonaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7078524
6-anthracen-2-yloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 72551848
sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-2-yloxyoxane-2-carboxylic acid
CID 130476793
6-(6-bromonaphthalen-2-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 3625613
2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 2844791
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
methyl (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-oxochromen-7-yl)oxyoxane-2-carboxylate
CID 162806578

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol?
The IUPAC name of (2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol (CID 71040889) is (2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol is CO[C@H]1O[C@@H](Oc2ccc3cc(C)ccc3c2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol?
The InChIKey is SHDHUDQUOLVOGN-ZOFXXKQRSA-N. The full InChI is InChI=1S/C17H20O6/c1-9-3-4-11-8-12(6-5-10(11)7-9)22-17-15(20)13(18)14(19)16(21-2)23-17/h3-8,13-20H,1-2H3/t13-,14-,15+,16-,17+/m0/s1.
What are the key properties of (2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol?
(2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol has a molecular weight of 320.34 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-2-methoxy-6-(6-methylnaphthalen-2-yl)oxyoxane-3,4,5-triol is sourced from PubChem (CID 71040889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).