Mycalamide D

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Properties Simple | Detailed

Formula C23H39NO10
IUPAC Name (2s)-n-[(4s,4as,6r,8s,8ar)-6-[(2s)-2,3-dihydroxypropyl]-8-hydroxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4h-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetamide
Molecular Mass 489.556 g·mol−1
Heat of Formation -1953.0 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 578.47 Å 3
Surface Area 416.7 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 3.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(4s,4as,6r,8s,8ar)-6-[(2s)-2,3-dihydroxypropyl]-8-hydroxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4h-pyrano[6,5-e][1,3]dioxin-4-yl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-2-tetrahydropyranyl]acetamide
  • (2s)-n-[(4s,4as,6r,8s,8ar)-6-[(2s)-2,3-dihydroxypropyl]-8-hydroxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4h-pyrano[6,5-e][1,3]dioxin-4-yl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetamide
  • (2s)-n-[(4s,4as,6r,8s,8ar)-6-[(2s)-2,3-dihydroxypropyl]-8-hydroxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4h-pyrano[6,5-e][1,3]dioxin-4-yl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylidene-oxan-2-yl]ethanamide
  • (2s)-n-[(4s,4as,6r,8s,8ar)-6-[(2s)-2,3-dihydroxypropyl]-8-hydroxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4h-pyrano[6,5-e][1,3]dioxin-4-yl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
  • (2s)-n-[(4s,4as,6r,8s,8ar)-6-glyceryl-8-hydroxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4h-pyrano[6,5-e][1,3]dioxin-4-yl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetamide
InChIKey MPSRCJWTLGCJFM-HDQIZBTCSA-N
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