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

C16H21NO6 — CID 22899375

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OCCc2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H21NO6/c18-8-12-13(19)14(20)15(21)16(23-12)22-6-5-10-7-9-3-1-2-4-11(9)17-10/h1-4,7,12-21H,5-6,8H2/t12-,13-,14+,15-,16-/m1/s1
InChIKeyVMRZBEORWRXMAT-IBEHDNSVSA-N
MW323.35 g/mol
LogP-0.47
Rot. Bonds5

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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol (PubChem CID 22899375) has the molecular formula C16H21NO6 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol
PubChem CID22899375
Molecular FormulaC16H21NO6
Molecular Weight323.35 g/mol
Exact Mass323.14
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OCCc2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H21NO6/c18-8-12-13(19)14(20)15(21)16(23-12)22-6-5-10-7-9-3-1-2-4-11(9)17-10/h1-4,7,12-21H,5-6,8H2/t12-,13-,14+,15-,16-/m1/s1
InChIKeyVMRZBEORWRXMAT-IBEHDNSVSA-N
XLogP-0.47
TPSA115.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 5-0.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-2-yl)acetate
CID 129205741
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-naphthalen-1-ylethoxy)oxane-3,4,5-triol
CID 100994417
(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol
CID 11736785
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol
CID 102065433
(2R,3R,4S,5S,6R)-2-[2-(4-fluorophenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 166634079
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(2,4,6-trihydroxyphenyl)ethoxy]oxane-3,4,5-triol
CID 156548372
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol
CID 174562142
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 2724405
2-(hydroxymethyl)-6-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 19078670

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol (CID 22899375) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol is OC[C@H]1O[C@@H](OCCc2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol?
The InChIKey is VMRZBEORWRXMAT-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H21NO6/c18-8-12-13(19)14(20)15(21)16(23-12)22-6-5-10-7-9-3-1-2-4-11(9)17-10/h1-4,7,12-21H,5-6,8H2/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol has a molecular weight of 323.35 g/mol, XLogP of -0.47, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol is sourced from PubChem (CID 22899375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).