2,3,6-Trideoxy-3-Methyl-3-Nitro-L-Ribo-Hexose

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Properties Simple | Detailed

Formula C7H13NO5
IUPAC Name (3r,4r,5s)-4,5-dihydroxy-3-methyl-3-nitro-hexanal
Molecular Mass 191.182 g·mol−1
Heat of Formation -638.2 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 223.45 Å 3
Surface Area 203.07 Å 2
HOMO Energy -10.52 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r,5s)-4,5-dihydroxy-3-methyl-3-nitro-hexanal
  • (3r,4r,5s)-4,5-dihydroxy-3-methyl-3-nitrohexanal
  • decilonitrose
  • l-ribo-hexose, 2,3,6-trideoxy-3-c-methyl-3-nitro-
  • methyl beta-decilonitroside
CAS Number(s)
  • 86402-43-9
InChIKey NXLFZVUAZMYNDL-LYFYHCNISA-N
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