Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > Thymidine,5-bromo-6-ethoxy-5,6-dihydro-, (5R,6R)-
1315335-16-0 structure

Thymidine,5-bromo-6-ethoxy-5,6-dihydro-, (5R,6R)-

Iupac Name:tert-butyl 4-(2-chloropyridin-3-yl)-4-cyanopiperidine-1-carboxylate
CAS No.:1315335-16-0
Molecular Weight:321.805
Molecular Formula:C8H15NS (isomer)
Names and Identifiers
Synonyms

5-bromo-2'-deoxy-6-ethoxy-5,6-dihydro-beta-ribofuranosylthymine

Inchi
InChI=1S/C16H20ClN3O2/c1-15(2,3)22-14(21)20-9-6-16(11-18,7-10-20)12-5-4-8-19-13(12)17/h4-5,8H,6-7,9-10H2,1-3H3
InChkey
WEKDZLAYEVGPGH-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C2=C(N=CC=C2)Cl
Properties
Density
1.307
Boiling Point
°Cat760mmHg
Flash Point
138.2°C
Computational chemical data
  • Molecular Weight:321.805g/mol
  • Molecular Formula:C8H15NS
  • Compound Is Canonicalized:True
  • Exact Mass:321.124
  • Monoisotopic Mass:321.124
  • Complexity:458
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:66.2A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHgIAAAAADkbBmiQ+iJMIFAC4 BjBnXACCgCAxBiAI2CA4ZpgIoOLBk5GMIAhghgDIyA8QgAAPgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
 
<