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Home> Hot Product Listed S   > STOCK6S-99256
6029-82-9 structure

STOCK6S-99256

Iupac Name:[(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl]
(Z)-2-methylbut-2-enoate
CAS No.:6029-82-9
Molecular Weight:237.29486
Molecular Formula:C19H25N3O2 (isomer)
Names and Identifiers
Synonyms

2-({[4-hydroxy-6-(propan-2-yl)thieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)-n-(6-methylpyridin-2-yl)acetamide 2-[({6-isopropyl-4-oxo-3h-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]-n-(6-methylpyridin-2-yl)acetamide AKOS005664933 AKOS016394435 BG00734971 MCULE-1698565787 MOLPORT-008-337-829 MOLPORT-008-355-437 n-(6-methylpyridin-2-yl)-2-({[4-oxo-6-(propan-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]methyl}sulfanyl)acetamide STK935339 STL469300 ZINC40285052

Inchi
InChI=1/C13H19NO3/c1-3-9(2)13(16)17-11-5-7-14-6-4-10(8-15)12(11)14/h3-4,11-12,15H,5-8H2,1-2H3/b9-3-/t11-,12-/m1/s1
Canonical Smiles
CC=C(C)C(=O)OC1CCN2C1C(=CC2)CO
Isomers Smiles
C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO
Properties
Refractive Index
1.558
Computational chemical data
  • Molecular Weight:237.29486g/mol
  • Molecular Formula:C19H25N3O2
  • Exact Mass:237.136493
  • Monoisotopic Mass:237.136493
  • Complexity:373
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:49.8
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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