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

C15H16O6 — CID 11173848

IUPAC(2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
SMILESOc1cc2ccccc2cc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H16O6/c16-10-5-8-3-1-2-4-9(8)6-12(10)21-15-14(19)13(18)11(17)7-20-15/h1-6,11,13-19H,7H2/t11-,13+,14-,15+/m1/s1
InChIKeyIUVYMKZXVHADTI-BEAPCOKYSA-N
MW292.29 g/mol
LogP0.36
Rot. Bonds2

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

(2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol (PubChem CID 11173848) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
PubChem CID11173848
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name(2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
SMILESOc1cc2ccccc2cc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H16O6/c16-10-5-8-3-1-2-4-9(8)6-12(10)21-15-14(19)13(18)11(17)7-20-15/h1-6,11,13-19H,7H2/t11-,13+,14-,15+/m1/s1
InChIKeyIUVYMKZXVHADTI-BEAPCOKYSA-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 (2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol (CID 11173848) is (2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol is Oc1cc2ccccc2cc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol?
The InChIKey is IUVYMKZXVHADTI-BEAPCOKYSA-N. The full InChI is InChI=1S/C15H16O6/c16-10-5-8-3-1-2-4-9(8)6-12(10)21-15-14(19)13(18)11(17)7-20-15/h1-6,11,13-19H,7H2/t11-,13+,14-,15+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol?
(2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-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 (2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol is sourced from PubChem (CID 11173848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).