(4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-Ethyl-4-Hydroxy-5,9,13,15-Tetramethyl-2,10-Dioxo-7-(2-Oxoethyl)Oxacyclohexadeca-11,13-Dien-6-Yl 3,4,6-Trideoxy-3-(Dimethylamino)-β-D-Xylo-Hexopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C25H45NO8
IUPAC Name isopropyl (3r,4s,5s,6r,8r)-5-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-hydroxy-4,8-dimethyl-9-oxo-6-(2-oxoethyl)decanoate
Molecular Mass 487.627 g·mol−1
Heat of Formation -1619.6 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 720.88 Å 3
Surface Area 502.79 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4r,5s,6s,7r,9r,11e,13e,15s,16r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal
  • 2-[(4r,5s,6s,7r,9r,11e,13e,15s,16r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-2,10-diketo-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,11e,13e,15s,16r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,11e,13e,15s,16r)-6-[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • 2-[(4r,5s,6s,7r,9r,11e,13e,15s,16r)-6-[[(2s,3r,4s,6r)-4-dimethylamino-3-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
  • d05717
  • repromicin (usan)
InChIKey OBUIQEYZGMZXPJ-NPQHDNJNSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N