Methyl (5R)-5-[(1S)-2-Chloro-1-{[(4R)-1-Methyl-4-Propyl-L-Prolyl]Amino}Propyl]-2-O-Phosphono-1-Thio-β-L-Arabinopyranoside

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Properties Simple | Detailed

Formula C18H34ClN2O8PS
IUPAC Name [(2r,3s,4s,5r,6s)-6-[(1s,2r)-2-chloro-1-[[(1r,2s,4r)-1-methyl-4-propyl-pyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyl-tetrahydropyran-3-yl] dihydrogen phosphate
Molecular Mass 504.963 g·mol−1
Heat of Formation -1951.4 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 578.47 Å 3
Surface Area 464.71 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
InChIKey UFUVLHLTWXBHGZ-BGKNDLTOSA-N
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Elements C Cl H O N P S