1,3,4,6-Tetra-O-Acetyl-2-[Bis(2-Chloroethyl)Amino]-2-Deoxy-D-Erythro-Hexopyranose

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Formula C18H27Cl2NO9
IUPAC Name [(2r,3s,4r,5r,6s)-3,4,6-triacetoxy-5-[bis(2-chloroethyl)amino]tetrahydropyran-2-yl]methyl acetate
Molecular Mass 472.314 g·mol−1
Heat of Formation -1823.5 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 534.21 Å 3
Surface Area 423.64 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy 0.53 ± eV
Point Group Symmetry C1
InChIKey IBVNNVNKILNDQJ-DUQPFJRNSA-N
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Elements H C N O Cl