(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol

C14H17NO6 — CID 22841300

IUPAC(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Oc2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H17NO6/c16-6-9-11(17)12(18)13(19)14(20-9)21-10-5-7-3-1-2-4-8(7)15-10/h1-5,9,11-19H,6H2/t9-,11+,12+,13-,14+/m1/s1
InChIKeyKIZIXIPDFWBRIW-YTLQFRNZSA-N
MW295.29 g/mol
LogP-0.65
Rot. Bonds3

About (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol (PubChem CID 22841300) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol
PubChem CID22841300
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Oc2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H17NO6/c16-6-9-11(17)12(18)13(19)14(20-9)21-10-5-7-3-1-2-4-8(7)15-10/h1-5,9,11-19H,6H2/t9-,11+,12+,13-,14+/m1/s1
InChIKeyKIZIXIPDFWBRIW-YTLQFRNZSA-N
XLogP-0.65
TPSA115.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol (CID 22841300) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol is OC[C@H]1O[C@@H](Oc2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol?
The InChIKey is KIZIXIPDFWBRIW-YTLQFRNZSA-N. The full InChI is InChI=1S/C14H17NO6/c16-6-9-11(17)12(18)13(19)14(20-9)21-10-5-7-3-1-2-4-8(7)15-10/h1-5,9,11-19H,6H2/t9-,11+,12+,13-,14+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol?
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol has a molecular weight of 295.29 g/mol, XLogP of -0.65, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yloxy)oxane-3,4,5-triol is sourced from PubChem (CID 22841300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).