(2R,3R,4S,5R,8R,10S,13R,14S,15R,16R)-20-Amino-3,4,8,10,14,15-Hexahydroxy-7,9,11,25,26-Pentaoxa-1,17,19,21-Tetraaza-8,10-Diphosphapentacyclo[15.6.1.1~2,5~.1~13,16~.0~18,23~]Hexacosa-18(23),20-Dien-22-One 8,10-Dioxide

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Formula C15H23N5O14P2
IUPAC Name (2r,3r,4s,5r,8r,10s,13r,14s,15r,16r)-20-amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-1,17,19,21-tetraaza-8,10-diphosphapentacyclo[15.6.1.1 2,5 .1 13,16 .0 18,23 ]hexacosa-18(23),20-dien-22-one 8,10-dioxide
Molecular Mass 559.316 g·mol−1
Heat of Formation -2905.0 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 534.61 Å 3
Surface Area 413.44 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • c
  • g
  • r
InChIKey XBIQPWWXYHHVOT-AIKIOGRUSA-N
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