(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol

C15H17NO7 — CID 172624132

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Oc2ccc3cccnc3c2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H17NO7/c17-6-9-12(19)13(20)14(21)15(23-9)22-8-4-3-7-2-1-5-16-10(7)11(8)18/h1-5,9,12-15,17-21H,6H2/t9-,12-,13+,14-,15-/m1/s1
InChIKeyXCTNFWJHJSXVED-SWMGHYKJSA-N
MW323.30 g/mol
LogP-0.88
Rot. Bonds3

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol (PubChem CID 172624132) has the molecular formula C15H17NO7 and a molecular weight of 323.30 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol
PubChem CID172624132
Molecular FormulaC15H17NO7
Molecular Weight323.30 g/mol
Exact Mass323.10
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Oc2ccc3cccnc3c2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H17NO7/c17-6-9-12(19)13(20)14(21)15(23-9)22-8-4-3-7-2-1-5-16-10(7)11(8)18/h1-5,9,12-15,17-21H,6H2/t9-,12-,13+,14-,15-/m1/s1
InChIKeyXCTNFWJHJSXVED-SWMGHYKJSA-N
XLogP-0.88
TPSA132.50 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
2-(hydroxymethyl)-6-[(3-methoxy-2-pyridinyl)oxy]oxane-3,4,5-triol
CID 73084137
2-[(3-bromo-2-pyridinyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134862019
2-(hydroxymethyl)-6-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 19078670
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-pyren-1-yloxyoxane-3,4,5-triol
CID 123804366
2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
CID 161416255
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 2724405
(2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 7099542
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
CID 21252322
(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
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol (CID 172624132) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol is OC[C@H]1O[C@@H](Oc2ccc3cccnc3c2O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol?
The InChIKey is XCTNFWJHJSXVED-SWMGHYKJSA-N. The full InChI is InChI=1S/C15H17NO7/c17-6-9-12(19)13(20)14(21)15(23-9)22-8-4-3-7-2-1-5-16-10(7)11(8)18/h1-5,9,12-15,17-21H,6H2/t9-,12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol has a molecular weight of 323.30 g/mol, XLogP of -0.88, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(8-hydroxyquinolin-7-yl)oxyoxane-3,4,5-triol is sourced from PubChem (CID 172624132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).