(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol

C16H18O6 — CID 7573796

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-20H,8H2/t12-,13-,14+,15-,16-/m1/s1
InChIKeyCVAOQMBKGUKOIZ-IBEHDNSVSA-N
MW306.31 g/mol
LogP0.02
Rot. Bonds3

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol (PubChem CID 7573796) has the molecular formula C16H18O6 and a molecular weight of 306.31 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
PubChem CID7573796
Molecular FormulaC16H18O6
Molecular Weight306.31 g/mol
Exact Mass306.11
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-20H,8H2/t12-,13-,14+,15-,16-/m1/s1
InChIKeyCVAOQMBKGUKOIZ-IBEHDNSVSA-N
XLogP0.02
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol (CID 7573796) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol is OC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol?
The InChIKey is CVAOQMBKGUKOIZ-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-20H,8H2/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol has a molecular weight of 306.31 g/mol, XLogP of 0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxane-3,4,5-triol is sourced from PubChem (CID 7573796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).