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

C16H18O6 — CID 162647217

IUPAC(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2c(O)ccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H18O6/c17-7-11-13(19)14(20)15(21)16(22-11)12-9-4-2-1-3-8(9)5-6-10(12)18/h1-6,11,13-21H,7H2/t11-,13-,14+,15-,16+/m1/s1
InChIKeyWYLQSOCCEKSERS-JZYAIQKZSA-N
MW306.31 g/mol
LogP0.06
Rot. Bonds2

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

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol (PubChem CID 162647217) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol
PubChem CID162647217
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2c(O)ccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H18O6/c17-7-11-13(19)14(20)15(21)16(22-11)12-9-4-2-1-3-8(9)5-6-10(12)18/h1-6,11,13-21H,7H2/t11-,13-,14+,15-,16+/m1/s1
InChIKeyWYLQSOCCEKSERS-JZYAIQKZSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol (CID 162647217) is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](c2c(O)ccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol?
The InChIKey is WYLQSOCCEKSERS-JZYAIQKZSA-N. The full InChI is InChI=1S/C16H18O6/c17-7-11-13(19)14(20)15(21)16(22-11)12-9-4-2-1-3-8(9)5-6-10(12)18/h1-6,11,13-21H,7H2/t11-,13-,14+,15-,16+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol?
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol has a molecular weight of 306.31 g/mol, XLogP of 0.06, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxynaphthalen-1-yl)oxane-3,4,5-triol is sourced from PubChem (CID 162647217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).