Salinosporamide A

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Properties Simple | Detailed

Formula C15H20ClNO4
IUPAC Name (1r,4r,5s)-4-(2-chloroethyl)-1-[(s)-[(1s)-cyclohex-2-en-1-yl]-hydroxy-methyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
Molecular Mass 313.777 g·mol−1
Heat of Formation -690.7 ± 16.7 kJ·mol−1
Dipole Moment 6.58 ± 1.08 D
Volume 355.99 Å 3
Surface Area 301.17 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4r,5s)-4-(2-chloroethyl)-1-((s)-((s)-cyclohex-2-enyl)(hydroxy)methyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
  • (1r,4r,5s)-4-(2-chloroethyl)-1-[(s)-[(1s)-1-cyclohex-2-enyl]-hydroxy-methyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
  • (1r,4r,5s)-4-(2-chloroethyl)-1-[(s)-[(1s)-1-cyclohex-2-enyl]-hydroxy-methyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-quinone
InChIKey NGWSFRIPKNWYAO-SHTIJGAHSA-N
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Elements H C N O Cl