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

C17H23NO5S — CID 67558106

IUPAC(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol
SMILESCC(C)(S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H23NO5S/c1-17(2,12-7-9-5-3-4-6-10(9)18-12)24-16-15(22)14(21)13(20)11(8-19)23-16/h3-7,11,13-16,18-22H,8H2,1-2H3/t11-,13+,14+,15-,16+/m1/s1
InChIKeyDZQJJSIILZSBQM-CHUNWDLHSA-N
MW353.44 g/mol
LogP0.94
Rot. Bonds4

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

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol (PubChem CID 67558106) has the molecular formula C17H23NO5S and a molecular weight of 353.44 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol
PubChem CID67558106
Molecular FormulaC17H23NO5S
Molecular Weight353.44 g/mol
Exact Mass353.13
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol
SMILESCC(C)(S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cc2ccccc2[nH]1
InChIInChI=1S/C17H23NO5S/c1-17(2,12-7-9-5-3-4-6-10(9)18-12)24-16-15(22)14(21)13(20)11(8-19)23-16/h3-7,11,13-16,18-22H,8H2,1-2H3/t11-,13+,14+,15-,16+/m1/s1
InChIKeyDZQJJSIILZSBQM-CHUNWDLHSA-N
XLogP0.94
TPSA105.94 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]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 (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol (CID 67558106) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol is CC(C)(S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cc2ccccc2[nH]1.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol?
The InChIKey is DZQJJSIILZSBQM-CHUNWDLHSA-N. The full InChI is InChI=1S/C17H23NO5S/c1-17(2,12-7-9-5-3-4-6-10(9)18-12)24-16-15(22)14(21)13(20)11(8-19)23-16/h3-7,11,13-16,18-22H,8H2,1-2H3/t11-,13+,14+,15-,16+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol?
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol has a molecular weight of 353.44 g/mol, XLogP of 0.94, 4 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-[2-(1H-indol-2-yl)propan-2-ylsulfanyl]oxane-3,4,5-triol is sourced from PubChem (CID 67558106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).