2-({4-Chloro-2-[Hydroxy(Methoxy)Methyl]Cyclohexyl}Amino)-1,1,2-Ethanetriol

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Properties Simple | Detailed

Formula C10H20ClNO5
IUPAC Name (2s)-2-[[(1s,2s,4s)-4-chloro-2-[(r)-hydroxy(methoxy)methyl]cyclohexyl]amino]ethane-1,1,2-triol
Molecular Mass 269.723 g·mol−1
Heat of Formation -1121.0 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 313.94 Å 3
Surface Area 275.32 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 0.53 ± eV
Point Group Symmetry C1
InChIKey ZCXQIUYGWAQWDL-RZKMHQGSSA-N
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Elements H C Cl O N