1,4:3,6-Dianhydro-2-O-Hexopyranuronosyl-5-O-Nitro-D-Glucitol

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Formula C12H17NO12
IUPAC Name (2r,3r,4r,5r,6s)-6-[[(3s,3ar,6r,6as)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 367.263 g·mol−1
Heat of Formation -1630.4 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 375.48 Å 3
Surface Area 324.56 Å 2
HOMO Energy -10.55 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
InChIKey MQHSDQNPAIOBOQ-BZIARYSWSA-N
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