3-({(3Ar,5R,6S,6Ar)-5-[(4R)-2,2-Dimethyl-1,3-Dioxolan-4-Yl]-2,2-Dimethyltetrahydrofuro[2,3-D][1,3]Dioxol-6-Yl}Oxy)-N,N-Dimethyl-1-Propanamine

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Properties Simple | Detailed

Formula C17H31NO6
IUPAC Name 3-[[(3ar,5r,6s,6ar)-5-[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-n,n-dimethyl-propan-1-amine
Molecular Mass 345.431 g·mol−1
Heat of Formation -1171.0 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 431.48 Å 3
Surface Area 374.84 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1:2,5:6-di-o-isopropylidene-3-o-(3-(dimethylamino)propyl)-alpha-d-glucofuranose
  • 3-[[(3ar,5r,6s,6ar)-5-[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-yl]oxy]-n,n-dimethyl-propan-1-amine
  • 3-[[(3ar,5r,6s,6ar)-5-[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-yl]oxy]-n,n-dimethylpropan-1-amine
  • 3-[[(3ar,5r,6s,6ar)-5-[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-6-yl]oxy]propyl-dimethyl-amine
  • glucofuranose, 1:2,5:6-di-o-isopropylidene-3-o-(3-(dimethylamino)propyl)-, alpha-d-
  • sm 1212
CAS Number(s)
  • 53914-14-0
InChIKey PMSINIYTMCRNNW-UXXRCYHCSA-N
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