3-O-Acetyl-2,5-Anhydro-1-Deoxy-4-O-(2,4-Dimethoxy-6-Methylbenzoyl)-1-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-D-Allitol

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Properties Simple | Detailed

Formula C22H26N2O10
IUPAC Name [(2r,3r,4s,5s)-4-acetoxy-5-[(2,4-dioxopyrimidin-1-yl)methyl]-2-(hydroxymethyl)tetrahydrofuran-3-yl] 2,4-dimethoxy-6-methyl-benzoate
Molecular Mass 478.449 g·mol−1
Heat of Formation -1688.6 ± 16.7 kJ·mol−1
Dipole Moment 8.07 ± 1.08 D
Volume 531.98 Å 3
Surface Area 420.38 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
InChIKey ZTGGVKXNOBHWBN-ACZWYYKOSA-N
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