Geometry & MOs
Info
ID: |
402342 |
PubChem CID: |
135055581 |
Reduced: |
NOC18H33 (1) |
Stoich.: |
ABC18D33 (1) |
Weight, g/mol: |
819.162615 |
ΔHf, kcal/mol: |
-64.65 |
Dipole, Da: |
2.13 |
IP(EA), eV: |
-8.41(0.87) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[[(2R,3S,4S)-5-(4a-hydroperoxy-7,8-dimethyl-2,4-dioxo-5H-benzo[g]pteridin-10-yl)-2,3,4-trihydroxypentoxy]-hydroxyphosphoryl] [(3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate