Geometry & MOs
Info
ID: |
315412 |
PubChem CID: |
126626059 |
Reduced: |
IO4C13H23 (1) |
Stoich.: |
AB4C13D23 (1) |
Weight, g/mol: |
1734.780916 |
ΔHf, kcal/mol: |
-203.03 |
Dipole, Da: |
1.68 |
IP(EA), eV: |
-9.9(-1.13) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
6-[[2-[[2-[[6-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-oxohexyl]amino]-2-oxoethyl]-[2-[[6-[2-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethylamino]-6-oxohexyl]amino]-2-oxoethyl]amino]acetyl]amino]-N-[2-[(2S,3S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]hexanamide