Geometry & MOs
Info
ID: |
222658 |
PubChem CID: |
85307774 |
Reduced: |
O10N15C23H47 (1) |
Stoich.: |
A10B15C23D47 (1) |
Weight, g/mol: |
2168.833978 |
ΔHf, kcal/mol: |
-378.7 |
Dipole, Da: |
0.76 |
IP(EA), eV: |
-8.97(0.78) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
5-acetamido-2-[2-[6-[6-[[6-[2-[[[6-[5-[4-[5-acetamido-2-carboxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5-tetrahydroxyhexyl]-methylamino]methyl]-4,5-dihydroxy-6-[(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methoxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl-methylamino]-2,3,4,5-tetrahydroxyhexoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid