{4-[2,2-Bis(Ethoxycarbonyl)-4-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Butyl]Phenyl}Sulfamic Acid

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Properties Simple | Detailed

Formula C21H32N2O9S
IUPAC Name [4-[4-(tert-butoxycarbonylamino)-2,2-bis(ethoxycarbonyl)butyl]phenyl]sulfamic acid
Molecular Mass 488.552 g·mol−1
Heat of Formation -1737.2 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 564.58 Å 3
Surface Area 448.37 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (4-{4-[(tert-butoxycarbonyl)amino]-2,2-bis(ethoxycarbonyl)butyl}phenyl)sulfamic acid
  • 3un
  • [4-[2,2-bis(ethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl]sulfamic acid
  • [4-[4-(tert-butoxycarbonylamino)-2,2-dicarbethoxy-butyl]phenyl]sulfamic acid
  • [4-[4-[(tert-butoxy-oxomethyl)amino]-2,2-bis(ethoxycarbonyl)butyl]phenyl]sulfamic acid
InChIKey VHLMZWXTBDMYOE-UHFFFAOYSA-N
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