(4R)-4-[(3R,5R,7S,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethyl-7-[(4-Nitro-2,1,3-Benzoxadiazol-7-Yl)Amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-N-(2-Sulfoethyl)Pentanamide

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Formula C32H49N5O9S
IUPAC Name (4r)-4-[(3r,5r,7s,8r,9s,10s,12s,13r,14s,17r)-3,12-dihydroxy-10,13-dimethyl-7-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-n-(2-sulfoethyl)pentanamide
Molecular Mass 679.825 g·mol−1
Heat of Formation -1106.8 ± 16.7 kJ·mol−1
Dipole Moment 9.80 ± 1.08 D
Volume 789.33 Å 3
Surface Area 579.3 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
InChIKey LJKAVNCSGTYJQH-DGVMTCCVSA-N
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