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

C14H17NO6 — CID 68816957

IUPAC(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol
SMILESOC[C@H]1O[C@H](O)[C@H](O)[C@@H](Oc2cc3ccccc3[nH]2)[C@@H]1O
InChIInChI=1S/C14H17NO6/c16-6-9-11(17)13(12(18)14(19)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
InChIKeyGYBUWBQBUWALNB-KVRLPLMBSA-N
MW295.29 g/mol
LogP-0.65
Rot. Bonds3

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

(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol (PubChem CID 68816957) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol
PubChem CID68816957
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol
SMILESOC[C@H]1O[C@H](O)[C@H](O)[C@@H](Oc2cc3ccccc3[nH]2)[C@@H]1O
InChIInChI=1S/C14H17NO6/c16-6-9-11(17)13(12(18)14(19)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
InChIKeyGYBUWBQBUWALNB-KVRLPLMBSA-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

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

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Related Compounds

(2R,3S,4R)-2-(hydroxymethyl)-5-(1H-indol-2-yl)oxolane-3,4-diol
CID 11736785
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(2-methylnaphthalen-1-yl)oxyoxane-2,3,5-triol
CID 69350435
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol
CID 67748326
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)ethoxy]oxane-3,4,5-triol
CID 22899375
(3S,4R,5S,6S)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 154701983
(2R,3S,4S,5R,6R)-6-(hydroxymethyl)-4-phenylmethoxyoxane-2,3,5-triol
CID 10973150
acetic acid;(3R,4S,5R,6R)-2-[(6-chloro-1H-indol-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66685146
[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1H-indol-2-yl)acetate
CID 129205741
(2R,3R,4S,5R,6R)-3-anthracen-1-yloxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 87681257
(3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol
CID 70460334
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentaphene
CID 159584072

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol?
The IUPAC name of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol (CID 68816957) is (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol?
The canonical SMILES for (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol is OC[C@H]1O[C@H](O)[C@H](O)[C@@H](Oc2cc3ccccc3[nH]2)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol?
The InChIKey is GYBUWBQBUWALNB-KVRLPLMBSA-N. The full InChI is InChI=1S/C14H17NO6/c16-6-9-11(17)13(12(18)14(19)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 (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol?
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-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 (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-(1H-indol-2-yloxy)oxane-2,3,5-triol is sourced from PubChem (CID 68816957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).