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

C16H18O6 — CID 154944068

IUPAC(3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol
SMILESOC[C@H]1OC(O)[C@@](O)(c2cccc3ccccc23)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H18O6/c17-8-12-13(18)14(19)16(21,15(20)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
InChIKeyZKDKCARJOWNZRI-WOFIAXNJSA-N
MW306.31 g/mol
LogP-0.54
Rot. Bonds2

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

(3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol (PubChem CID 154944068) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is (3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol
PubChem CID154944068
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Name(3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol
SMILESOC[C@H]1OC(O)[C@@](O)(c2cccc3ccccc23)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H18O6/c17-8-12-13(18)14(19)16(21,15(20)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
InChIKeyZKDKCARJOWNZRI-WOFIAXNJSA-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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Related Compounds

(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3-phenyloxane-2,3,4,5-tetrol
CID 57135995
(2R,3S,4R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolane-3,4-diol;naphthalene
CID 162037384
6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 22286958
(2S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 101196422
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[4-[(4-hydroxypiperidin-1-yl)-phenylmethyl]phenyl]oxane-2,3,4,5-tetrol
CID 69278396
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
CID 161416255
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(4-prop-2-enylphenyl)oxane-2,3,4,5-tetrol
CID 90706898
(2S,3R,4R,5S,6R)-5-chloro-6-(hydroxymethyl)-2-naphthalen-1-yloxane-2,3,4,5-tetrol
CID 57171811
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 118961526
benzyl N-[[(2R,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]carbamate
CID 138620334
(2R,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(naphthalen-1-ylmethylamino)methyl]oxane-3,4,5-triol
CID 155998769

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol (CID 154944068) is (3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol is OC[C@H]1OC(O)[C@@](O)(c2cccc3ccccc23)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol?
The InChIKey is ZKDKCARJOWNZRI-WOFIAXNJSA-N. The full InChI is InChI=1S/C16H18O6/c17-8-12-13(18)14(19)16(21,15(20)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 (3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol?
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-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 (3R,4S,5S,6R)-6-(hydroxymethyl)-3-naphthalen-1-yloxane-2,3,4,5-tetrol is sourced from PubChem (CID 154944068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).