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

C15H16O5 — CID 21126107

IUPAC(3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol
SMILESO[C@H]1[C@H](O)COC(O)(c2cccc3ccccc23)[C@@H]1O
InChIInChI=1S/C15H16O5/c16-12-8-20-15(19,14(18)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
InChIKeyMHFIDEALELIVKM-PEUVFPKISA-N
MW276.29 g/mol
LogP0.10
Rot. Bonds1

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

(3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol (PubChem CID 21126107) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is (3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol
PubChem CID21126107
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name(3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol
SMILESO[C@H]1[C@H](O)COC(O)(c2cccc3ccccc23)[C@@H]1O
InChIInChI=1S/C15H16O5/c16-12-8-20-15(19,14(18)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
InChIKeyMHFIDEALELIVKM-PEUVFPKISA-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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol (CID 21126107) is (3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol is O[C@H]1[C@H](O)COC(O)(c2cccc3ccccc23)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol?
The InChIKey is MHFIDEALELIVKM-PEUVFPKISA-N. The full InChI is InChI=1S/C15H16O5/c16-12-8-20-15(19,14(18)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 (3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol?
(3R,4S,5R)-2-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 (3R,4S,5R)-2-naphthalen-1-yloxane-2,3,4,5-tetrol is sourced from PubChem (CID 21126107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).