(2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol

C14H17NO4 — CID 71485587

IUPAC(2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol
SMILESCc1cccc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c[nH]c12
InChIInChI=1S/C14H17NO4/c1-7-3-2-4-8-9(5-15-11(7)8)14-13(18)12(17)10(16)6-19-14/h2-5,10,12-18H,6H2,1H3/t10-,12+,13-,14+/m1/s1
InChIKeyBBCQJSDAISHZDU-CABNGKKXSA-N
MW263.29 g/mol
LogP0.63
Rot. Bonds1

About (2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol

(2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol (PubChem CID 71485587) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol
PubChem CID71485587
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol
SMILESCc1cccc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c[nH]c12
InChIInChI=1S/C14H17NO4/c1-7-3-2-4-8-9(5-15-11(7)8)14-13(18)12(17)10(16)6-19-14/h2-5,10,12-18H,6H2,1H3/t10-,12+,13-,14+/m1/s1
InChIKeyBBCQJSDAISHZDU-CABNGKKXSA-N
XLogP0.63
TPSA85.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol (CID 71485587) is (2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol is Cc1cccc2c([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c[nH]c12.
What is the InChIKey of (2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol?
The InChIKey is BBCQJSDAISHZDU-CABNGKKXSA-N. The full InChI is InChI=1S/C14H17NO4/c1-7-3-2-4-8-9(5-15-11(7)8)14-13(18)12(17)10(16)6-19-14/h2-5,10,12-18H,6H2,1H3/t10-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol?
(2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol has a molecular weight of 263.29 g/mol, XLogP of 0.63, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(7-methyl-1H-indol-3-yl)oxane-3,4,5-triol is sourced from PubChem (CID 71485587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).