(1S,5R)-5-{(1E,3E)-5-[(2S,3S,5R,6R)-5-{[(2Z,4S)-4-Acetoxy-2-Pentenoyl]Amino}-3,6-Dimethyltetrahydro-2H-Pyran-2-Yl]-3-Methyl-1,3-Pentadien-1-Yl}-1,5-Anhydro-1-(Carboxymethyl)-3-C-(Chloromethyl)-2-Deoxy-D-Erythro-Pentitol

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Properties Simple | Detailed

Formula C28H42ClNO9
IUPAC Name 2-[(2s,4s,5r,6r)-6-[(1e,3e)-5-[(2s,3s,5r,6r)-5-[[(z,4s)-4-acetoxypent-2-enoyl]amino]-3,6-dimethyl-tetrahydropyran-2-yl]-3-methyl-penta-1,3-dienyl]-4-(chloromethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]acetic acid
Molecular Mass 572.087 g·mol−1
Heat of Formation -1804.5 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 694.1 Å 3
Surface Area 557.57 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
InChIKey GAXKYFBEYVVCBB-FUDLAKRJSA-N
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Elements H C N O Cl