(2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol

C15H16O6 — CID 90941091

IUPAC(2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol
SMILESOc1ccc2c([C@]3(O)[C@@H](O)OC[C@@H](O)[C@@H]3O)cccc2c1
InChIInChI=1S/C15H16O6/c16-9-4-5-10-8(6-9)2-1-3-11(10)15(20)13(18)12(17)7-21-14(15)19/h1-6,12-14,16-20H,7H2/t12-,13+,14+,15-/m1/s1
InChIKeyZWSNSDCRWWFPST-CBBWQLFWSA-N
MW292.29 g/mol
LogP-0.20
Rot. Bonds1

About (2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol

(2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol (PubChem CID 90941091) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol
PubChem CID90941091
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name(2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol
SMILESOc1ccc2c([C@]3(O)[C@@H](O)OC[C@@H](O)[C@@H]3O)cccc2c1
InChIInChI=1S/C15H16O6/c16-9-4-5-10-8(6-9)2-1-3-11(10)15(20)13(18)12(17)7-21-14(15)19/h1-6,12-14,16-20H,7H2/t12-,13+,14+,15-/m1/s1
InChIKeyZWSNSDCRWWFPST-CBBWQLFWSA-N
XLogP-0.20
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol (CID 90941091) is (2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol is Oc1ccc2c([C@]3(O)[C@@H](O)OC[C@@H](O)[C@@H]3O)cccc2c1.
What is the InChIKey of (2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol?
The InChIKey is ZWSNSDCRWWFPST-CBBWQLFWSA-N. The full InChI is InChI=1S/C15H16O6/c16-9-4-5-10-8(6-9)2-1-3-11(10)15(20)13(18)12(17)7-21-14(15)19/h1-6,12-14,16-20H,7H2/t12-,13+,14+,15-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol?
(2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol has a molecular weight of 292.29 g/mol, XLogP of -0.20, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-3-(6-hydroxynaphthalen-1-yl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 90941091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).