[(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate

C19H31NO4Si — CID 174115668

IUPAC[(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate
SMILESCC[C@H]1OC(OC(=O)c2cccnc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C19H31NO4Si/c1-8-15-13(2)16(24-25(6,7)19(3,4)5)18(22-15)23-17(21)14-10-9-11-20-12-14/h9-13,15-16,18H,8H2,1-7H3/t13-,15-,16-,18?/m1/s1
InChIKeyXYZYJMZBINDJMC-IPCZQBQASA-N
MW365.55 g/mol
LogP4.40
Rot. Bonds5

About [(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate

[(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate (PubChem CID 174115668) has the molecular formula C19H31NO4Si and a molecular weight of 365.55 g/mol. Its IUPAC name is [(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate
PubChem CID174115668
Molecular FormulaC19H31NO4Si
Molecular Weight365.55 g/mol
Exact Mass365.20
IUPAC Name[(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate
SMILESCC[C@H]1OC(OC(=O)c2cccnc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C19H31NO4Si/c1-8-15-13(2)16(24-25(6,7)19(3,4)5)18(22-15)23-17(21)14-10-9-11-20-12-14/h9-13,15-16,18H,8H2,1-7H3/t13-,15-,16-,18?/m1/s1
InChIKeyXYZYJMZBINDJMC-IPCZQBQASA-N
XLogP4.40
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-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

[(2S,4S,5S)-2-benzoyloxy-6-ethyl-4,5-dimethyloxan-3-yl] benzoate
CID 121355233
[(3aR,6R,6aR)-2,2-dimethyl-4-(pyridine-3-carbonyloxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl pyridine-3-carboxylate
CID 142289111
[(2R,3R,4R,5R)-5-benzoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-yl] benzoate
CID 67152952
[(1R,3S,5S,6S,7R,8R,9R)-8-[tert-butyl(dimethyl)silyl]oxy-9-methylsulfonyloxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl] benzoate
CID 10994547
[(2R,3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-iodo-6-methoxy-2-methyloxan-3-yl] benzoate
CID 11214317
(4R,5R,6R)-3,4,5-trihydroxy-6-(pyridine-3-carbonyloxy)oxane-2-carboxylic acid
CID 163199522
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(pyridine-3-carbonyloxy)oxane-2-carboxylic acid
CID 90470547
[(2R,3R,4S,5R,6R)-3-benzoyloxy-2-[[(2S,3R,4S,5R,6R)-4,5-dibenzoyloxy-6-[[(2S,3R,4S,5R)-4,5-dibenzoyloxy-6-hydroxy-3-methyloxan-2-yl]methoxy]-3-methyloxan-2-yl]methoxy]-6-ethyl-5-methyloxan-4-yl] benzoate
CID 126705406
[(2R,3R,4R)-5-acetyloxy-4-benzoyloxy-2-ethyloxolan-3-yl] benzoate
CID 170041809
[(2R,3R,4S,5R)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 170213383
[(2R,4S)-5-acetyloxy-4-benzoyloxy-2-ethyloxolan-3-yl] benzoate
CID 159107500
[(2S,3S,4R,5S)-5-benzoyloxy-2-ethyl-4-fluorooxolan-3-yl] benzoate
CID 58741926

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate?
The IUPAC name of [(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate (CID 174115668) is [(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate.
What is the SMILES notation for [(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate?
The canonical SMILES for [(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate is CC[C@H]1OC(OC(=O)c2cccnc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of [(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate?
The InChIKey is XYZYJMZBINDJMC-IPCZQBQASA-N. The full InChI is InChI=1S/C19H31NO4Si/c1-8-15-13(2)16(24-25(6,7)19(3,4)5)18(22-15)23-17(21)14-10-9-11-20-12-14/h9-13,15-16,18H,8H2,1-7H3/t13-,15-,16-,18?/m1/s1.
What are the key properties of [(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate?
[(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate has a molecular weight of 365.55 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethyl-4-methyloxolan-2-yl] pyridine-3-carboxylate is sourced from PubChem (CID 174115668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).