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

C15H16O6 — CID 155046793

IUPAC(2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol
SMILESOc1ccc2c(O[C@@H]3[C@@H](O)[C@H](O)OC[C@H]3O)cccc2c1
InChIInChI=1S/C15H16O6/c16-9-4-5-10-8(6-9)2-1-3-12(10)21-14-11(17)7-20-15(19)13(14)18/h1-6,11,13-19H,7H2/t11-,13-,14+,15-/m1/s1
InChIKeyGZPHIVQWRLMQSH-REBRKWNGSA-N
MW292.29 g/mol
LogP0.36
Rot. Bonds2

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

(2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol (PubChem CID 155046793) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol
PubChem CID155046793
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name(2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol
SMILESOc1ccc2c(O[C@@H]3[C@@H](O)[C@H](O)OC[C@H]3O)cccc2c1
InChIInChI=1S/C15H16O6/c16-9-4-5-10-8(6-9)2-1-3-12(10)21-14-11(17)7-20-15(19)13(14)18/h1-6,11,13-19H,7H2/t11-,13-,14+,15-/m1/s1
InChIKeyGZPHIVQWRLMQSH-REBRKWNGSA-N
XLogP0.36
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol?
The IUPAC name of (2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol (CID 155046793) is (2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol is Oc1ccc2c(O[C@@H]3[C@@H](O)[C@H](O)OC[C@H]3O)cccc2c1.
What is the InChIKey of (2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol?
The InChIKey is GZPHIVQWRLMQSH-REBRKWNGSA-N. The full InChI is InChI=1S/C15H16O6/c16-9-4-5-10-8(6-9)2-1-3-12(10)21-14-11(17)7-20-15(19)13(14)18/h1-6,11,13-19H,7H2/t11-,13-,14+,15-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol?
(2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol has a molecular weight of 292.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-4-(6-hydroxynaphthalen-1-yl)oxyoxane-2,3,5-triol is sourced from PubChem (CID 155046793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).