N-[(3S,4R,7R,8R,9S)-7-Butyl-8-Hydroxy-4,9-Dimethyl-2,6-Dioxo-1,5-Dioxonan-3-Yl]-3-Formamido-2-Hydroxybenzamide

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Properties Simple | Detailed

Formula C21H28N2O8
IUPAC Name n-[(2r,3s,6s,7r,8r)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxy-benzamide
Molecular Mass 436.456 g·mol−1
Heat of Formation -1459.3 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 506.39 Å 3
Surface Area 431.46 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • benzamide, n-(7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-(formylamino)-2-hydroxy-, (3s-(3r*,4s*,7s*,8s*,9r*))-
  • blastmycin, deisovalery-
  • deisovalerylblastmycin
  • n-(7-butyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)-3-formamidosalicylamide
  • n-[(2r,3s,6s,7r,8r)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxy-benzamide
  • n-[(2r,3s,6s,7r,8r)-8-butyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-3-formamido-2-hydroxybenzamide
  • n-[(3s,4r,7r,8r,9s)-7-butyl-8-hydroxy-2,6-diketo-4,9-dimethyl-1,5-dioxonan-3-yl]-3-formamido-2-hydroxy-benzamide
  • salicylamide, n-(7-butyl-4,9-dimethyl-2,6-dioxo-8-hydroxy-1,5-dioxonan-3-yl)-3-formamido-
CAS Number(s)
  • 60504-95-2
InChIKey RQVHZRRXZBBXMY-ZMNIPVBYSA-N
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