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 C12H22N4O7P2S
IUPAC Name 2-[(3s,4r,5r)-3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate
Molecular Mass 428.338 g·mol−1
Heat of Formation -1815.2 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 458.95 Å 3
Surface Area 390.04 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey QMLRZDVHAMEWFV-LDYMZIIASA-N
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