(8R)-3-(5-S-Methyl-5-Thio-β-D-Ribofuranosyl)-3,4,7,8-Tetrahydroimidazo[4,5-D][1,3]Diazepin-8-Ol

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Properties Simple | Detailed

Formula C12H18N4O4S
IUPAC Name (2r,3r,4s,5s)-2-[(8r)-8-hydroxy-7,8-dihydro-6h-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
Molecular Mass 314.361 g·mol−1
Heat of Formation -520.0 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 350.18 Å 3
Surface Area 302.85 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s)-2-[(8r)-8-hydroxy-7,8-dihydro-4h-imidazo[5,4-d][1,3]diazepin-3-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol
  • (2r,3r,4s,5s)-2-[(8r)-8-hydroxy-7,8-dihydro-4h-imidazo[5,4-d][1,3]diazepin-3-yl]-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5s)-2-[(8r)-8-hydroxy-7,8-dihydro-4h-imidazo[5,4-d][1,3]diazepin-3-yl]-5-[(methylthio)methyl]tetrahydrofuran-3,4-diol
InChIKey QLPPCUVJNCMYFD-SANHVUMCSA-N
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