2-{[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl](Formyl)Amino}-3-S-Benzoyl-1,2,4-Trideoxy-5-O-Phosphono-3-Thiopentitol

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Properties Simple | Detailed

Formula C19H25N4O6PS
IUPAC Name s-[(1r,2s)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-phosphonooxyethyl)propyl] benzenecarbothioate
Molecular Mass 468.464 g·mol−1
Heat of Formation -1212.5 ± 16.7 kJ·mol−1
Dipole Moment 8.92 ± 1.08 D
Volume 531.39 Å 3
Surface Area 411.94 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey ZVFWYYRSRJTRQB-SUMWQHHRSA-N
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