2-(Ethylsulfanyl)Adenosine 5'-(Dihydrogen Phosphate)

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Formula C12H41N5O7PS
IUPAC Name carbanide; carbon; 2-ethylsulfanyl-5,6-bis(λ1-azanyl)pyrimidine-1,3-diium-5-id-4-amine; λ1-carbane; methanol; methanone; phosphenous acid; dihydroxide
Molecular Mass 430.522 g·mol−1
Heat of Formation -1366.6 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 420.93 Å 3
Surface Area 351.23 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey KSEHCVZYQVNMHL-WOIOKPISSA-N
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