(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol

C17H20O7 — CID 67827682

IUPAC(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol
SMILESCOc1ccc2ccccc2c1O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C17H20O7/c1-22-11-7-6-9-4-2-3-5-10(9)15(11)24-16-14(20)13(19)12(8-18)23-17(16)21/h2-7,12-14,16-21H,8H2,1H3/t12-,13+,14+,16-,17-/m1/s1
InChIKeyXYPVPKZGEYFCND-NJNCZSALSA-N
MW336.34 g/mol
LogP0.03
Rot. Bonds4

About (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol

(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol (PubChem CID 67827682) has the molecular formula C17H20O7 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol
PubChem CID67827682
Molecular FormulaC17H20O7
Molecular Weight336.34 g/mol
Exact Mass336.12
IUPAC Name(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol
SMILESCOc1ccc2ccccc2c1O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C17H20O7/c1-22-11-7-6-9-4-2-3-5-10(9)15(11)24-16-14(20)13(19)12(8-18)23-17(16)21/h2-7,12-14,16-21H,8H2,1H3/t12-,13+,14+,16-,17-/m1/s1
InChIKeyXYPVPKZGEYFCND-NJNCZSALSA-N
XLogP0.03
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol 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

(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(2-methylnaphthalen-1-yl)oxyoxane-2,3,5-triol
CID 69350435
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol
CID 67748326
(2R,3R,4S,5R,6R)-3-anthracen-1-yloxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 87681257
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxyphenoxy)oxane-2,4,5-triol
CID 67748323
(2R,3R,4S,5R,6R)-3-(2-aminophenoxy)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67177615
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
CID 161416255
(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-(4-phenylphenoxy)oxane-2,4,5-triol
CID 71077860
(2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol
CID 23728763
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentaphene
CID 159584072

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol (CID 67827682) is (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol is COc1ccc2ccccc2c1O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol?
The InChIKey is XYPVPKZGEYFCND-NJNCZSALSA-N. The full InChI is InChI=1S/C17H20O7/c1-22-11-7-6-9-4-2-3-5-10(9)15(11)24-16-14(20)13(19)12(8-18)23-17(16)21/h2-7,12-14,16-21H,8H2,1H3/t12-,13+,14+,16-,17-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol?
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol has a molecular weight of 336.34 g/mol, XLogP of 0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol is sourced from PubChem (CID 67827682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).