Geometry & MOs
Info
ID: |
127615 |
PubChem CID: |
51008402 |
Reduced: |
NO3C19H25 (1) |
Stoich.: |
AB3C19D25 (1) |
Weight, g/mol: |
1740.503952 |
ΔHf, kcal/mol: |
-86.57 |
Dipole, Da: |
4.84 |
IP(EA), eV: |
-9.04(0.6) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(1R,3S,5S,6R,8S,10S,11R,13S,15S,16R,18S,20S,21R,23S,25S,26R,28S,30S,31R,33S,35S,36R,38S,40S,41S,42S,43S,44S,45S,46S,47S,48R,49S,50S,51S,52S,53S,54S,55S,56S)-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecahydroxy-5,15,20,30,35,40-hexakis(hydroxymethyl)-25-[(4-methylphenyl)sulfonyloxymethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-10-yl]methyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetate