(2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol

C20H21NO4 — CID 70694930

IUPAC(2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](c2cn(Cc3ccccc3)c3ccccc23)OC[C@H]1O
InChIInChI=1S/C20H21NO4/c22-17-12-25-20(19(24)18(17)23)15-11-21(10-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,11,17-20,22-24H,10,12H2/t17-,18+,19-,20+/m1/s1
InChIKeyHMOYCJJKDQYDQA-WCIQWLHISA-N
MW339.39 g/mol
LogP1.84
Rot. Bonds3

About (2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol

(2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol (PubChem CID 70694930) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol
PubChem CID70694930
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](c2cn(Cc3ccccc3)c3ccccc23)OC[C@H]1O
InChIInChI=1S/C20H21NO4/c22-17-12-25-20(19(24)18(17)23)15-11-21(10-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,11,17-20,22-24H,10,12H2/t17-,18+,19-,20+/m1/s1
InChIKeyHMOYCJJKDQYDQA-WCIQWLHISA-N
XLogP1.84
TPSA74.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol (CID 70694930) is (2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](c2cn(Cc3ccccc3)c3ccccc23)OC[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol?
The InChIKey is HMOYCJJKDQYDQA-WCIQWLHISA-N. The full InChI is InChI=1S/C20H21NO4/c22-17-12-25-20(19(24)18(17)23)15-11-21(10-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,11,17-20,22-24H,10,12H2/t17-,18+,19-,20+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol?
(2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol has a molecular weight of 339.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(1-benzylindol-3-yl)oxane-3,4,5-triol is sourced from PubChem (CID 70694930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).