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

C20H21NO5 — CID 134145116

IUPAC(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2[nH]ccc2-c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H21NO5/c22-10-15-17(23)18(24)19(25)20(26-15)16-14(7-8-21-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,15,17-25H,10H2/t15-,17-,18+,19-,20+/m1/s1
InChIKeyBEHLYTIMRFDQPG-PKOFMYQESA-N
MW355.39 g/mol
LogP1.35
Rot. Bonds3

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

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol (PubChem CID 134145116) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol
PubChem CID134145116
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2[nH]ccc2-c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H21NO5/c22-10-15-17(23)18(24)19(25)20(26-15)16-14(7-8-21-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,15,17-25H,10H2/t15-,17-,18+,19-,20+/m1/s1
InChIKeyBEHLYTIMRFDQPG-PKOFMYQESA-N
XLogP1.35
TPSA105.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol (CID 134145116) is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](c2[nH]ccc2-c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol?
The InChIKey is BEHLYTIMRFDQPG-PKOFMYQESA-N. The full InChI is InChI=1S/C20H21NO5/c22-10-15-17(23)18(24)19(25)20(26-15)16-14(7-8-21-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-9,15,17-25H,10H2/t15-,17-,18+,19-,20+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol?
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol has a molecular weight of 355.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1H-pyrrol-2-yl)oxane-3,4,5-triol is sourced from PubChem (CID 134145116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).