Geometry & MOs
Info
ID: |
168959 |
PubChem CID: |
75046045 |
Reduced: |
OC28H34 (1) |
Stoich.: |
AB28C34 (1) |
Weight, g/mol: |
2280.092782 |
ΔHf, kcal/mol: |
168.87 |
Dipole, Da: |
3.2 |
IP(EA), eV: |
-8.28(0.68) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[13-[2-[2-[[6-[5-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[3-hydroxy-2-(nonadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-carboxy-4-hydroxy-2-(1,2,3-trihydroxypropyl)oxan-3-yl]carbamoyloxy]ethyl-methylcarbamoyl]phenyl]-6,7,7,19,19,20-hexamethyl-17-(sulfomethyl)-2-oxa-20-aza-6-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,8,10,12,15,17,21-nonaen-9-yl]methanesulfonate