Geometry & MOs
Info
ID: |
125309 |
PubChem CID: |
50919215 |
Reduced: |
O2N5H15C21 (1) |
Stoich.: |
A2B5C15D21 (1) |
Weight, g/mol: |
1981.602136 |
ΔHf, kcal/mol: |
107.09 |
Dipole, Da: |
6.22 |
IP(EA), eV: |
-10.17(-0.9) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1S,2R,19R,22R,34S,37R,40R,52S)-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-amino-64-[(2S,3R,4R,5S,6S)-6-(benzylcarbamoyl)-4,5-dihydroxy-3-(8-methylnonanoylamino)oxan-2-yl]oxy-5,15-dichloro-26,31,44,49-tetrahydroxy-21,35,38,54,56,59-hexaoxo-47-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14,16,23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,62,65-henicosaene-52-carboxylic acid