(2R)-3-({(2S)-1-[(2S,3Ar,5S,6S,7As)-2-({2-[1-(Diaminomethylene)-2,5-Dihydro-1H-Pyrrolium-3-Yl]Ethyl}Carbamoyl)-5,6-Dihydroxyoctahydro-1H-Indol-1-Yl]-3-Methyl-1-Oxo-2-Butanyl}Amino)-2-Methoxy-3-Oxopropyl Sulfate

Molecule SVG Image

Properties Simple | Detailed

Formula C25H42N6O10S
IUPAC Name [(2r)-3-[[(1s)-1-[(2s,3ar,5s,6s,7as)-2-[2-[1-(diaminomethylene)-2,5-dihydropyrrol-1-ium-3-yl]ethylcarbamoyl]-5,6-dihydroxy-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]-2-methyl-propyl]amino]-2-methoxy-3-oxo-propyl] sulfate
Molecular Mass 618.700 g·mol−1
Heat of Formation -1763.1 ± 16.7 kJ·mol−1
Dipole Moment 35.70 ± 1.08 D
Volume 700.29 Å 3
Surface Area 485.28 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
InChIKey IDIGNXIFMDXCKQ-XYIAWKELSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N