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Home> Encyclopedia > Hot Product Listed 2   > 2(1H)-Pyrimidinone,4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]-
793716-20-8 structure

2(1H)-Pyrimidinone,4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]-

Iupac Name:2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoic acid
CAS No.:793716-20-8
Molecular Weight:307.408
Molecular Formula:C27H38O7 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C16H21NO3S/c18-15(17-10-12-6-2-1-3-7-12)11-21-14-9-5-4-8-13(14)16(19)20/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,17,18)(H,19,20)
InChkey
KDNJMNUPXYQVBQ-UHFFFAOYSA-N
Canonical Smiles
C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)O
Properties
Density
1.265
Boiling Point
°Cat760mmHg
Computational chemical data
  • Molecular Weight:307.408g/mol
  • Molecular Formula:C27H38O7
  • Compound Is Canonicalized:True
  • Exact Mass:307.124
  • Monoisotopic Mass:307.124
  • Complexity:355
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:21
  • 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
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