1-{(Z)-[(3S,9S,12S,15S)-15-Amino-3-[(4R)-2-Amino-3,4,5,6-Tetrahydro-4-Pyrimidinyl]-9,12-Bis(Hydroxymethyl)-2,5,8,11,14-Pentaoxo-1,4,7,10,13-Pentaazacyclohexadecan-6-Ylidene]Methyl}Urea

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Properties Simple | Detailed

Formula C19H31N11O8
IUPAC Name [(z)-[(3s,9s,12s,15s)-15-amino-3-[(6r)-2-amino-1,4,5,6-tetrahydropyrimidin-6-yl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-6-ylidene]methyl]urea
Molecular Mass 541.518 g·mol−1
Heat of Formation -1264.5 ± 16.7 kJ·mol−1
Dipole Moment 14.62 ± 1.08 D
Volume 601.45 Å 3
Surface Area 482.71 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (r)-1-de(l-3,6-diaminohexanoic acid)-6-(l-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)glycine) viomycin
  • [(z)-[(3s,9s,12s,15s)-15-amino-3-[(4r)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-2,5,8,11,14-pentaketo-9,12-dimethylol-1,4,7,10,13-pentazacyclohexadec-6-ylidene]methyl]urea
  • [(z)-[(3s,9s,12s,15s)-15-amino-3-[(4r)-2-amino-3,4,5,6-tetrahydropyrimidin-4-yl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-6-ylidene]methyl]urea
  • tuberactinamine-n
CAS Number(s)
  • 56257-31-9
InChIKey LIFZJBQBBQFSKX-APLLUIBVSA-N
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