(2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol

C16H19NO7 — CID 23728763

IUPAC(2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol
SMILESCOc1ccc2c(O[C@@H]3C(O)[C@H](O)C(CO)O[C@@H]3O)ccnc2c1
InChIInChI=1S/C16H19NO7/c1-22-8-2-3-9-10(6-8)17-5-4-11(9)23-15-14(20)13(19)12(7-18)24-16(15)21/h2-6,12-16,18-21H,7H2,1H3/t12?,13-,14?,15-,16+/m1/s1
InChIKeyQKZMOSCEXGCDEK-IHTQCXBNSA-N
MW337.33 g/mol
LogP-0.58
Rot. Bonds4

About (2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol

(2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol (PubChem CID 23728763) has the molecular formula C16H19NO7 and a molecular weight of 337.33 g/mol. Its IUPAC name is (2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol.

Molecular Properties

Compound Name(2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol
PubChem CID23728763
Molecular FormulaC16H19NO7
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name(2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol
SMILESCOc1ccc2c(O[C@@H]3C(O)[C@H](O)C(CO)O[C@@H]3O)ccnc2c1
InChIInChI=1S/C16H19NO7/c1-22-8-2-3-9-10(6-8)17-5-4-11(9)23-15-14(20)13(19)12(7-18)24-16(15)21/h2-6,12-16,18-21H,7H2,1H3/t12?,13-,14?,15-,16+/m1/s1
InChIKeyQKZMOSCEXGCDEK-IHTQCXBNSA-N
XLogP-0.58
TPSA121.50 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-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

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol?
The IUPAC name of (2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol (CID 23728763) is (2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol.
What is the SMILES notation for (2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol?
The canonical SMILES for (2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol is COc1ccc2c(O[C@@H]3C(O)[C@H](O)C(CO)O[C@@H]3O)ccnc2c1.
What is the InChIKey of (2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol?
The InChIKey is QKZMOSCEXGCDEK-IHTQCXBNSA-N. The full InChI is InChI=1S/C16H19NO7/c1-22-8-2-3-9-10(6-8)17-5-4-11(9)23-15-14(20)13(19)12(7-18)24-16(15)21/h2-6,12-16,18-21H,7H2,1H3/t12?,13-,14?,15-,16+/m1/s1.
What are the key properties of (2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol?
(2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol has a molecular weight of 337.33 g/mol, XLogP of -0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-6-(hydroxymethyl)-3-(7-methoxyquinolin-4-yl)oxyoxane-2,4,5-triol is sourced from PubChem (CID 23728763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).