N-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-N-[(2E)-5-Hydroxy-3-{[(2R)-Tetrahydro-2-Furanylmethyl]Disulfanyl}-2-Penten-2-Yl]Formamide

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Properties Simple | Detailed

Formula C17H26N4O3S2
IUPAC Name n-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-n-[(e)-4-hydroxy-1-methyl-2-[[(2r)-tetrahydrofuran-2-yl]methyldisulfanyl]but-1-enyl]formamide
Molecular Mass 398.543 g·mol−1
Heat of Formation -481.6 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 469.29 Å 3
Surface Area 351.79 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
InChIKey JTLXCMOFVBXEKD-XYGUXCPDSA-N
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