2-{(5S)-3-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-4-Methyl-1,3-Thiazolidin-5-Yl}Ethyl Trihydrogen Diphosphate

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Properties Simple | Detailed

Formula C12H10N4O7P2S
IUPAC Name 2-[3-[3-[(2z)-2-cyanoiminoaziridin-1-yl]prop-2-ynyl]-4-methyl-2h-thiazol-5-yl]ethynyl (3-oxo-1,2,3λ5-dioxaphosphiran-3-yl) phosphate
Molecular Mass 416.243 g·mol−1
Heat of Formation 631.6 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 370.65 Å 3
Surface Area 321.39 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
InChIKey QMLRZDVHAMEWFV-KCJUWKMLSA-N
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