(6R)-2,6-Anhydro-3,4,5-Trideoxy-4-{[(Dichloromethyl)Sulfonyl]Amino}-5-(Isobutyrylamino)-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-L-Threo-Hex-2-Enonic Acid

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Properties Simple | Detailed

Formula C14H22Cl2N2O9S
IUPAC Name (2r,3r,4s)-4-(dichloromethylsulfonylamino)-3-(2-methylpropanoylamino)-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-6-carboxylic acid
Molecular Mass 465.303 g·mol−1
Heat of Formation -1649.2 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 486.59 Å 3
Surface Area 395.04 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,5r,6r)-4-(dichloromethylsulfonylamino)-5-(2-methylpropanoylamino)-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-4-(dichloromethylsulfonylamino)-5-(isobutyrylamino)-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
  • (4s,5r,6r)-4-(dichloromethylsulfonylamino)-5-[(2-methyl-1-oxopropyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]-5,6-dihydro-4h-pyran-2-carboxylic acid
InChIKey VCJGUPDYWNYSJW-CNYIRLTGSA-N
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