4-{2-[4-(Hydroxymethyl)-1H-1,2,3-Triazol-1-Yl]Ethyl}Phenyl α-D-Mannopyranoside

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Properties Simple | Detailed

Formula C17H23N3O7
IUPAC Name (2r,3s,4s,5s,6r)-2-(hydroxymethyl)-6-[4-[2-[4-(hydroxymethyl)-2-aza-1-azonia-3-azanidacyclopenta-1,4-dien-1-yl]ethyl]phenoxy]tetrahydropyran-3,4,5-triol
Molecular Mass 381.380 g·mol−1
Heat of Formation -980.2 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 439.4 Å 3
Surface Area 377.44 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
InChIKey BCFCTVRYNLVCND-NRKLIOEPSA-N
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