(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol

C16H18O6 — CID 54254086

IUPAC(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@](O)(c2cccc3ccccc23)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(21,22-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,17-21H,8H2/t12-,13+,14+,15-,16+/m1/s1
InChIKeyQYUGGOVLYCDUAO-CWVYHPPDSA-N
MW306.31 g/mol
LogP-0.54
Rot. Bonds2

About (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol

(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol (PubChem CID 54254086) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol
PubChem CID54254086
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Name(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@@](O)(c2cccc3ccccc23)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(21,22-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,17-21H,8H2/t12-,13+,14+,15-,16+/m1/s1
InChIKeyQYUGGOVLYCDUAO-CWVYHPPDSA-N
XLogP-0.54
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 5-0.54
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,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol (CID 54254086) is (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol is OC[C@H]1O[C@@](O)(c2cccc3ccccc23)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol?
The InChIKey is QYUGGOVLYCDUAO-CWVYHPPDSA-N. The full InChI is InChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(21,22-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,17-21H,8H2/t12-,13+,14+,15-,16+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol?
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol has a molecular weight of 306.31 g/mol, XLogP of -0.54, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol is sourced from PubChem (CID 54254086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).