(3'S,6'R,13'R,16'S,23'R,24A'S)-6'-[(2S)-4-Amino-2-Hydroxybutyl]-23'-Hydroxy-3',13',16'-Tris(Hydroxymethyl)Tetradecahydrospiro[Cyclopropane-1,19'-Pyrrolo[2,1-I][1,4,7,10,13,16,19]Heptaazacyclodocosine]-1',4',7',11',14',17',20'(8'H,18'H)-Heptone

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Formula C27H44N8O12
IUPAC Name (6s,9r,16r,19s,22s,24r)-16-[(2s)-4-amino-2-hydroxy-butyl]-24-hydroxy-6,9,19-tris(hydroxymethyl)spiro[1,4,7,10,14,17,20-heptazabicyclo[20.3.0]pentacosane-3,1'-cyclopropane]-2,5,8,11,15,18,21-heptone
Molecular Mass 672.685 g·mol−1
Heat of Formation -2141.9 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 796.07 Å 3
Surface Area 570.11 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 0.65 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,9r,16r,19s,22s,24r)-16-[(2s)-4-amino-2-hydroxy-butyl]-24-hydroxy-6,9,19-trimethylol-spiro[1,4,7,10,14,17,20-heptazabicyclo[20.3.0]pentacosane-3,1'-cyclopropane]-2,5,8,11,15,18,21-heptone
  • (6s,9r,16r,19s,22s,24r)-16-[(2s)-4-amino-2-hydroxy-butyl]-24-hydroxy-6,9,19-tris(hydroxymethyl)spiro[1,4,7,10,14,17,20-heptazabicyclo[20.3.0]pentacosane-3,1'-cyclopropane]-2,5,8,11,15,18,21-heptone
  • (6s,9r,16r,19s,22s,24r)-16-[(2s)-4-amino-2-hydroxybutyl]-24-hydroxy-6,9,19-tris(hydroxymethyl)spiro[1,4,7,10,14,17,20-heptazabicyclo[20.3.0]pentacosane-3,1'-cyclopropane]-2,5,8,11,15,18,21-heptone
InChIKey RBBMDAKGTMLVAP-LPJTWDLVSA-N
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