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

C13H14ClNO5 — CID 70183599

IUPAC(2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](Oc2c[nH]c3cc(Cl)ccc23)OC[C@@H]1O
InChIInChI=1S/C13H14ClNO5/c14-6-1-2-7-8(3-6)15-4-10(7)20-13-12(18)11(17)9(16)5-19-13/h1-4,9,11-13,15-18H,5H2/t9-,11-,12+,13-/m0/s1
InChIKeyOYHCMIUPCOUWHG-SYEHKZFSSA-N
MW299.71 g/mol
LogP0.64
Rot. Bonds2

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

(2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol (PubChem CID 70183599) has the molecular formula C13H14ClNO5 and a molecular weight of 299.71 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol
PubChem CID70183599
Molecular FormulaC13H14ClNO5
Molecular Weight299.71 g/mol
Exact Mass299.06
IUPAC Name(2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](Oc2c[nH]c3cc(Cl)ccc23)OC[C@@H]1O
InChIInChI=1S/C13H14ClNO5/c14-6-1-2-7-8(3-6)15-4-10(7)20-13-12(18)11(17)9(16)5-19-13/h1-4,9,11-13,15-18H,5H2/t9-,11-,12+,13-/m0/s1
InChIKeyOYHCMIUPCOUWHG-SYEHKZFSSA-N
XLogP0.64
TPSA94.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol (CID 70183599) is (2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](Oc2c[nH]c3cc(Cl)ccc23)OC[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol?
The InChIKey is OYHCMIUPCOUWHG-SYEHKZFSSA-N. The full InChI is InChI=1S/C13H14ClNO5/c14-6-1-2-7-8(3-6)15-4-10(7)20-13-12(18)11(17)9(16)5-19-13/h1-4,9,11-13,15-18H,5H2/t9-,11-,12+,13-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol?
(2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol has a molecular weight of 299.71 g/mol, XLogP of 0.64, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-[(6-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol is sourced from PubChem (CID 70183599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).