(8S,11S,14S)-14-Amino-11-[(2R)-3-Amino-2-Hydroxypropyl]-5,17-Dihydroxy-10,13-Dioxo-9,12-Diazatricyclo[14.3.1.1~2,6~]Henicosa-1(20),2(21),3,5,16,18-Hexaene-8-Carboxylic Acid

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Formula C23H28N4O7
IUPAC Name (8s,11s,14s)-14-amino-11-[(2r)-3-amino-2-hydroxypropyl]-5,17-dihydroxy-10,13-dioxo-9,12-diazatricyclo[14.3.1.1 2,6 ]henicosa-1(20),2(21),3,5,16,18-hexaene-8-carboxylic acid
Molecular Mass 472.491 g·mol−1
Heat of Formation -1175.0 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 553.24 Å 3
Surface Area 426.6 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 9,12-diazatricyclo(14.3.1.12,6)heneicosa-1(20),2,4,6(21),16,18-hexaene-8-carboxylic acid, 14-amino-11-(3-amino-2-hydroxypropyl)-5,17-dihydroxy-10,13-dioxo-
  • biphenomycin b
CAS Number(s)
  • 100217-74-1
InChIKey OXLPMCIPYGNLJD-OWSLCNJRSA-N
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