(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol

C26H27NO6 — CID 11305464

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Oc2cccc3[nH]cc(CCc4ccc5ccccc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H27NO6/c28-14-21-23(29)24(30)25(31)26(33-21)32-20-7-3-6-19-22(20)18(13-27-19)11-9-15-8-10-16-4-1-2-5-17(16)12-15/h1-8,10,12-13,21,23-31H,9,11,14H2/t21-,23-,24+,25-,26-/m1/s1
InChIKeyKOBLLUJNYLNPMB-XDXGNBCUSA-N
MW449.50 g/mol
LogP2.29
Rot. Bonds6

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol (PubChem CID 11305464) has the molecular formula C26H27NO6 and a molecular weight of 449.50 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol
PubChem CID11305464
Molecular FormulaC26H27NO6
Molecular Weight449.50 g/mol
Exact Mass449.18
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Oc2cccc3[nH]cc(CCc4ccc5ccccc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C26H27NO6/c28-14-21-23(29)24(30)25(31)26(33-21)32-20-7-3-6-19-22(20)18(13-27-19)11-9-15-8-10-16-4-1-2-5-17(16)12-15/h1-8,10,12-13,21,23-31H,9,11,14H2/t21-,23-,24+,25-,26-/m1/s1
InChIKeyKOBLLUJNYLNPMB-XDXGNBCUSA-N
XLogP2.29
TPSA115.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol (CID 11305464) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol is OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(CCc4ccc5ccccc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
The InChIKey is KOBLLUJNYLNPMB-XDXGNBCUSA-N. The full InChI is InChI=1S/C26H27NO6/c28-14-21-23(29)24(30)25(31)26(33-21)32-20-7-3-6-19-22(20)18(13-27-19)11-9-15-8-10-16-4-1-2-5-17(16)12-15/h1-8,10,12-13,21,23-31H,9,11,14H2/t21-,23-,24+,25-,26-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol has a molecular weight of 449.50 g/mol, XLogP of 2.29, 6 rotatable bonds, 5 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-[[3-(2-naphthalen-2-ylethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol is sourced from PubChem (CID 11305464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).