4-[(4-Aminobenzoyl)Amino]-1-{2,6-Dideoxy-4-O-[(1S,2R,3S,4R,5S)-4-(Dimethylamino)-2,3,5-Trihydroxycyclohexyl]-β-D-Arabino-Hexopyranosyl}-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C25H35N5O8
IUPAC Name 4-amino-n-[1-[(2r,4r,5s,6r)-5-[(1s,2r,3s,4r,5s)-4-(dimethylamino)-2,3,5-trihydroxy-cyclohexoxy]-4-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
Molecular Mass 533.574 g·mol−1
Heat of Formation 2523.7 ± 16.7 kJ·mol−1
Dipole Moment 11.67 ± 1.08 D
Volume 539.78 Å 3
Surface Area 478.41 Å 2
Point Group Symmetry C1
Synonyms
  • 4-amino-n-[1-[(2r,4r,5s,6r)-5-[(1s,2r,3s,4r,5s)-4-dimethylamino-2,3,5-trihydroxy-cyclohexoxy]-4-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-keto-pyrimidin-4-yl]benzamide
  • 4-amino-n-[1-[(2r,4r,5s,6r)-5-[(1s,2r,3s,4r,5s)-4-dimethylamino-2,3,5-trihydroxy-cyclohexoxy]-4-hydroxy-6-methyl-tetrahydropyran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
  • 4-amino-n-[1-[(2r,4r,5s,6r)-5-[(1s,2r,3s,4r,5s)-4-dimethylamino-2,3,5-trihydroxy-cyclohexyl]oxy-4-hydroxy-6-methyl-oxan-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
  • 4-amino-n-[1-[(2r,4r,5s,6r)-5-[(1s,2r,3s,4r,5s)-4-dimethylamino-2,3,5-trihydroxycyclohexoxy]-4-hydroxy-6-methyl-2-tetrahydropyranyl]-2-oxo-4-pyrimidinyl]benzamide
  • oxyplicacetin
CAS Number(s)
  • 100108-92-7
InChIKey NJRKCURACRGUML-IIYKVCNPSA-N
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