(1R,2R,3S,4R,6S)-4,6-Diamino-3-[(2,3-Diamino-2,3-Dideoxy-4-O-Methyl-α-D-Lyxopyranosyl)Oxy]-2-Hydroxycyclohexyl 2,6-Diamino-2,4,6-Trideoxy-α-D-Xylo-Hexopyranoside

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Properties Simple | Detailed

Formula C18H38N6O7
IUPAC Name (2r,3r,4s,6s)-3-amino-6-(aminomethyl)-2-[(1r,2r,3s,4r,6s)-4,6-diamino-3-[(2r,3s,4r,5s)-3,4-diamino-5-methoxy-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-4-ol
Molecular Mass 450.530 g·mol−1
Heat of Formation -1331.3 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 532.56 Å 3
Surface Area 423.68 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,6s)-3-amino-6-(aminomethyl)-2-[(1r,2r,3s,4r,6s)-4,6-diamino-3-[(2r,3s,4r,5s)-3,4-diamino-5-methoxy-oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-oxan-4-ol
  • (2r,3r,4s,6s)-3-amino-6-(aminomethyl)-2-[(1r,2r,3s,4r,6s)-4,6-diamino-3-[(2r,3s,4r,5s)-3,4-diamino-5-methoxy-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]tetrahydropyran-4-ol
  • (2r,3r,4s,6s)-3-amino-6-(aminomethyl)-2-[(1r,2r,3s,4r,6s)-4,6-diamino-3-[(2r,3s,4r,5s)-3,4-diamino-5-methoxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxan-4-ol
  • (2r,3r,4s,6s)-3-amino-6-(aminomethyl)-2-[(1r,2r,3s,4r,6s)-4,6-diamino-3-[[(2r,3s,4r,5s)-3,4-diamino-5-methoxy-2-tetrahydropyranyl]oxy]-2-hydroxycyclohexoxy]-4-tetrahydropyranol
  • seldomycin
CAS Number(s)
  • 75635-18-6
InChIKey HJKXMQLJTKUBMG-INVUDJPSSA-N
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