(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol

C17H21NO6 — CID 164612054

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccc3ccccc3n2)[C@H]1O
InChIInChI=1S/C17H21NO6/c1-22-17-15(21)16(14(20)13(8-19)24-17)23-9-11-7-6-10-4-2-3-5-12(10)18-11/h2-7,13-17,19-21H,8-9H2,1H3/t13-,14+,15-,16+,17-/m1/s1
InChIKeyBHGJGZXJXQZKNI-BPKGMFCQSA-N
MW335.36 g/mol
LogP0.21
Rot. Bonds5

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol (PubChem CID 164612054) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol
PubChem CID164612054
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol
SMILESCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccc3ccccc3n2)[C@H]1O
InChIInChI=1S/C17H21NO6/c1-22-17-15(21)16(14(20)13(8-19)24-17)23-9-11-7-6-10-4-2-3-5-12(10)18-11/h2-7,13-17,19-21H,8-9H2,1H3/t13-,14+,15-,16+,17-/m1/s1
InChIKeyBHGJGZXJXQZKNI-BPKGMFCQSA-N
XLogP0.21
TPSA101.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol (CID 164612054) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol is CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2ccc3ccccc3n2)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol?
The InChIKey is BHGJGZXJXQZKNI-BPKGMFCQSA-N. The full InChI is InChI=1S/C17H21NO6/c1-22-17-15(21)16(14(20)13(8-19)24-17)23-9-11-7-6-10-4-2-3-5-12(10)18-11/h2-7,13-17,19-21H,8-9H2,1H3/t13-,14+,15-,16+,17-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol has a molecular weight of 335.36 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(quinolin-2-ylmethoxy)oxane-3,5-diol is sourced from PubChem (CID 164612054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).