(3As,5S,6R,7S,7As)-5-[(Benzyloxy)Methyl]-7-[(2E)-2-Buten-1-Yloxy]-2-Methyl-5,6,7,7A-Tetrahydro-3Ah-Pyrano[3,2-D][1,3]Oxazol-6-Yl Acetate

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Properties Simple | Detailed

Formula C21H27NO6
IUPAC Name [(3as,5s,6r,7s,7as)-5-(benzyloxymethyl)-7-[(e)-but-2-enoxy]-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[3,2-d]oxazol-6-yl] acetate
Molecular Mass 389.442 g·mol−1
Heat of Formation -913.8 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 469.05 Å 3
Surface Area 360.01 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-(2-acetamido-4-o-acetyl-6-o-benzyl-3-o-(2-butenyl)-1,2-dideoxy alpha-d-glucopyrano)(2,1-d)-2-oxazoline
  • 5h-pyrano(3,2-d)oxazol-6-ol, 7-(2-butenyloxy)-3a,6,7,7a-tetrahydro-2-methyl-5-((phenylmethoxy)methyl)-, acetate (ester), (3as-(3aalpha,5alpha,6beta,7alpha,7aalpha))-
  • [(3as,5s,6r,7s,7as)-7-[(e)-but-2-enoxy]-2-methyl-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[5,6-d][1,3]oxazol-6-yl] acetate
  • [(3as,5s,6r,7s,7as)-7-[(e)-but-2-enoxy]-2-methyl-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[5,6-d][1,3]oxazol-6-yl] ethanoate
  • [(3as,5s,6r,7s,7as)-7-[(e)-but-2-enoxy]-2-methyl-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[5,6-d]oxazol-6-yl] acetate
  • acetic acid [(3as,5s,6r,7s,7as)-5-(benzyloxymethyl)-7-[(e)-but-2-enoxy]-2-methyl-5,6,7,7a-tetrahydro-3ah-pyrano[5,6-d]oxazol-6-yl] ester
  • acetic acid [(3as,5s,6r,7s,7as)-7-[(e)-but-2-enoxy]-2-methyl-5-(phenylmethoxymethyl)-5,6,7,7a-tetrahydro-3ah-pyrano[5,6-d]oxazol-6-yl] ester
  • mabdgo
CAS Number(s)
  • 78138-59-7
InChIKey WGLSLLTXEVNTGP-KCVDAPTQSA-N
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