[(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate

C35H37NO7 — CID 70617356

IUPAC[(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate
SMILESCCc1c(Cc2ccccc2)c(Cc2ccccc2)nc(C(=O)O[C@H]2O[C@H]([C@@H](O)CO)[C@H](O)[C@H]2O)c1Cc1ccccc1
InChIInChI=1S/C35H37NO7/c1-2-25-26(18-22-12-6-3-7-13-22)28(20-24-16-10-5-11-17-24)36-30(27(25)19-23-14-8-4-9-15-23)34(41)43-35-32(40)31(39)33(42-35)29(38)21-37/h3-17,29,31-33,35,37-40H,2,18-21H2,1H3/t29-,31+,32+,33+,35+/m0/s1
InChIKeySPYWVYUOANENPQ-LFSYFIGTSA-N
MW583.68 g/mol
LogP3.37
Rot. Bonds11

About [(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate

[(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate (PubChem CID 70617356) has the molecular formula C35H37NO7 and a molecular weight of 583.68 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate
PubChem CID70617356
Molecular FormulaC35H37NO7
Molecular Weight583.68 g/mol
Exact Mass583.26
IUPAC Name[(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate
SMILESCCc1c(Cc2ccccc2)c(Cc2ccccc2)nc(C(=O)O[C@H]2O[C@H]([C@@H](O)CO)[C@H](O)[C@H]2O)c1Cc1ccccc1
InChIInChI=1S/C35H37NO7/c1-2-25-26(18-22-12-6-3-7-13-22)28(20-24-16-10-5-11-17-24)36-30(27(25)19-23-14-8-4-9-15-23)34(41)43-35-32(40)31(39)33(42-35)29(38)21-37/h3-17,29,31-33,35,37-40H,2,18-21H2,1H3/t29-,31+,32+,33+,35+/m0/s1
InChIKeySPYWVYUOANENPQ-LFSYFIGTSA-N
XLogP3.37
TPSA129.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.68
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] benzoate
CID 174957513
(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol
CID 131855111
(2R,3R,4R,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-phenoxyoxolane-3,4-diol
CID 69116677
(1R)-1-[(2S,3R,4S,5S)-3-hydroxy-5-octoxy-4-phenylmethoxyoxolan-2-yl]ethane-1,2-diol
CID 15946241
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(1-hydroxy-2-oxo-2-phenylethyl)oxolan-2-yl] benzoate
CID 70258736
(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 130444434
(3R,4R,5S)-2-(dibenzylamino)sulfanyl-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 90975442
(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777
sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride
CID 173327837
O-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] carbamothioate
CID 123505822
(2R,3R,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-dodecoxyoxolane-3,4-diol
CID 11382473
(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988484

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate?
The IUPAC name of [(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate (CID 70617356) is [(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate.
What is the SMILES notation for [(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate?
The canonical SMILES for [(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate is CCc1c(Cc2ccccc2)c(Cc2ccccc2)nc(C(=O)O[C@H]2O[C@H]([C@@H](O)CO)[C@H](O)[C@H]2O)c1Cc1ccccc1.
What is the InChIKey of [(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate?
The InChIKey is SPYWVYUOANENPQ-LFSYFIGTSA-N. The full InChI is InChI=1S/C35H37NO7/c1-2-25-26(18-22-12-6-3-7-13-22)28(20-24-16-10-5-11-17-24)36-30(27(25)19-23-14-8-4-9-15-23)34(41)43-35-32(40)31(39)33(42-35)29(38)21-37/h3-17,29,31-33,35,37-40H,2,18-21H2,1H3/t29-,31+,32+,33+,35+/m0/s1.
What are the key properties of [(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate?
[(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate has a molecular weight of 583.68 g/mol, XLogP of 3.37, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] 3,5,6-tribenzyl-4-ethylpyridine-2-carboxylate is sourced from PubChem (CID 70617356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).