Geometry & MOs
Info
ID: |
45104 |
PubChem CID: |
10508044 |
Reduced: |
BC22H24 (1) |
Stoich.: |
AB22C24 (1) |
Weight, g/mol: |
616.280317 |
ΔHf, kcal/mol: |
70.79 |
Dipole, Da: |
1.1 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.754483 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol