Geometry & MOs
Info
ID: |
161132 |
PubChem CID: |
57390847 |
Reduced: |
SN2F3O4C16H21 (1) |
Stoich.: |
AB2C3D4E16F21 (1) |
Weight, g/mol: |
1730.587429 |
ΔHf, kcal/mol: |
-285.73 |
Dipole, Da: |
4.32 |
IP(EA), eV: |
-9.73(-1.38) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1S,2R,18R,19R,22S,25R,28R,40R)-2-[(2R,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,4S,5S,6S)-5-hydroxy-4,6-dimethyl-4-(naphthalen-1-ylmethylamino)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid