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Home> Encyclopedia > Hot Product Listed 5   > 5,6-Dithiabicyclo[2.1.1]hexane,2,3-dimethyl-, 5-oxide, (1a,2a,3a,4a,5b)-
959584-21-5 structure

5,6-Dithiabicyclo[2.1.1]hexane,2,3-dimethyl-, 5-oxide, (1a,2a,3a,4a,5b)-

Iupac Name:2-[(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetic acid
CAS No.:959584-21-5
Molecular Weight:314.382
Molecular Formula:C19H23IN2 (isomer)
Names and Identifiers
Synonyms

ZwiebelaneA

Inchi
InChI=1S/C15H26N2O5/c1-10(2)8-11-13(20)16(9-12(18)19)6-7-17(11)14(21)22-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,18,19)/t11-/m0/s1
InChkey
CDNNBFMNMGDYJG-NSHDSACASA-N
Canonical Smiles
CC(C)CC1C(=O)N(CCN1C(=O)OC(C)(C)C)CC(=O)O
Properties
Density
1.16
Computational chemical data
  • Molecular Weight:314.382g/mol
  • Molecular Formula:C19H23IN2
  • Compound Is Canonicalized:True
  • Exact Mass:314.184
  • Monoisotopic Mass:314.184
  • Complexity:442
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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