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

C14H17NO5 — CID 134149658

IUPAC(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H17NO5/c16-6-10-11(17)12(18)13(19)14(20-10)9-5-7-3-1-2-4-8(7)15-9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14+/m1/s1
InChIKeyBXYAGWFWFGSNOO-RGDJUOJXSA-N
MW279.29 g/mol
LogP-0.32
Rot. Bonds2

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

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yl)oxane-3,4,5-triol (PubChem CID 134149658) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yl)oxane-3,4,5-triol
PubChem CID134149658
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H17NO5/c16-6-10-11(17)12(18)13(19)14(20-10)9-5-7-3-1-2-4-8(7)15-9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14+/m1/s1
InChIKeyBXYAGWFWFGSNOO-RGDJUOJXSA-N
XLogP-0.32
TPSA105.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 5-0.32
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-(1H-indol-2-yl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yl)oxane-3,4,5-triol (CID 134149658) is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yl)oxane-3,4,5-triol?
The InChIKey is BXYAGWFWFGSNOO-RGDJUOJXSA-N. The full InChI is InChI=1S/C14H17NO5/c16-6-10-11(17)12(18)13(19)14(20-10)9-5-7-3-1-2-4-8(7)15-9/h1-5,10-19H,6H2/t10-,11-,12+,13-,14+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yl)oxane-3,4,5-triol?
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-indol-2-yl)oxane-3,4,5-triol has a molecular weight of 279.29 g/mol, XLogP of -0.32, 2 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-(1H-indol-2-yl)oxane-3,4,5-triol is sourced from PubChem (CID 134149658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).