[(2S,3S,4S,5S)-5-Acetonyl-2-[(1R)-2-Benzyloxy-1-Methyl-Ethyl]-3-Methyl-6-Oxo-Tetrahydropyran-4-Yl] 3,5-Dinitrobenzoate

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Properties Simple | Detailed

Formula C26H28N2O10
IUPAC Name [(2s,3s,4s,5s)-5-acetonyl-2-[(1r)-2-benzyloxy-1-methyl-ethyl]-3-methyl-6-oxo-tetrahydropyran-4-yl] 3,5-dinitrobenzoate
Molecular Mass 528.508 g·mol−1
Heat of Formation -996.2 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 614.89 Å 3
Surface Area 431.03 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 0.74 ± eV
Point Group Symmetry C1
InChIKey VRRTWQDOYFPXRD-XPSHSCSXSA-N
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