(2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol

C18H26N2O5 — CID 170387160

IUPAC(2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCN(C)CCc1c[nH]c2cccc(O[C@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)c12
InChIInChI=1S/C18H26N2O5/c1-20(2)7-6-11-9-19-12-4-3-5-14(17(11)12)24-16-8-13(22)18(23)15(10-21)25-16/h3-5,9,13,15-16,18-19,21-23H,6-8,10H2,1-2H3/t13-,15-,16-,18+/m1/s1
InChIKeyYZTNPCXAJYKBAI-IIVZCXTMSA-N
MW350.42 g/mol
LogP0.48
Rot. Bonds6

About (2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 170387160) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID170387160
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name(2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol
SMILESCN(C)CCc1c[nH]c2cccc(O[C@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)c12
InChIInChI=1S/C18H26N2O5/c1-20(2)7-6-11-9-19-12-4-3-5-14(17(11)12)24-16-8-13(22)18(23)15(10-21)25-16/h3-5,9,13,15-16,18-19,21-23H,6-8,10H2,1-2H3/t13-,15-,16-,18+/m1/s1
InChIKeyYZTNPCXAJYKBAI-IIVZCXTMSA-N
XLogP0.48
TPSA98.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol (CID 170387160) is (2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol is CN(C)CCc1c[nH]c2cccc(O[C@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)c12.
What is the InChIKey of (2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is YZTNPCXAJYKBAI-IIVZCXTMSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-20(2)7-6-11-9-19-12-4-3-5-14(17(11)12)24-16-8-13(22)18(23)15(10-21)25-16/h3-5,9,13,15-16,18-19,21-23H,6-8,10H2,1-2H3/t13-,15-,16-,18+/m1/s1.
What are the key properties of (2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 350.42 g/mol, XLogP of 0.48, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6S)-6-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 170387160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).