(2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol

C15H16O5 — CID 91435233

IUPAC(2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol
SMILESO[C@@H]1CO[C@H](O)[C@@](O)(c2cccc3ccccc23)[C@H]1O
InChIInChI=1S/C15H16O5/c16-12-8-20-14(18)15(19,13(12)17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-14,16-19H,8H2/t12-,13+,14+,15-/m1/s1
InChIKeyCSJKDSFWAKDASY-CBBWQLFWSA-N
MW276.29 g/mol
LogP0.10
Rot. Bonds1

About (2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol

(2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol (PubChem CID 91435233) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol
PubChem CID91435233
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name(2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol
SMILESO[C@@H]1CO[C@H](O)[C@@](O)(c2cccc3ccccc23)[C@H]1O
InChIInChI=1S/C15H16O5/c16-12-8-20-14(18)15(19,13(12)17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-14,16-19H,8H2/t12-,13+,14+,15-/m1/s1
InChIKeyCSJKDSFWAKDASY-CBBWQLFWSA-N
XLogP0.10
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol (CID 91435233) is (2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol is O[C@@H]1CO[C@H](O)[C@@](O)(c2cccc3ccccc23)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol?
The InChIKey is CSJKDSFWAKDASY-CBBWQLFWSA-N. The full InChI is InChI=1S/C15H16O5/c16-12-8-20-14(18)15(19,13(12)17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-14,16-19H,8H2/t12-,13+,14+,15-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol?
(2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol has a molecular weight of 276.29 g/mol, XLogP of 0.10, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-3-naphthalen-1-yloxane-2,3,4,5-tetrol is sourced from PubChem (CID 91435233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).