2-{[(5S)-5-{(1R,2R)-2-Methoxy-1-[(1-Methyl-L-Prolyl)Amino]Propyl}-α-L-Xylopyranosyl]Thio}Ethyl Salicylate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H10N2O9S
IUPAC Name formaldehyde; 4-[(7r)-6'-(2-hydroxyethynylsulfanyl)-8-(3-hydroxyprop-2-ynyl)-3',4',5'-trioxo-spiro[3,9-dioxa-5-azoniabicyclo[4.3.0]nona-1,4,5-triene-7,2'-tetrahydropyran]-4-yl]buta-1,3-diynyl-methylidyne-ammonium
Molecular Mass 466.377 g·mol−1
Heat of Formation -1608.0 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 613.17 Å 3
Surface Area 456.99 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-[(1r,2r)-2-methoxy-1-[[(2s)-1-methylpyrrolidin-2-yl]carbonylamino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
  • 2-[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-[(1r,2r)-2-methoxy-1-[[(2s)-1-methylpyrrolidine-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
  • 2-[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-[(1r,2r)-2-methoxy-1-[[(2s)-1-methylpyrrolidine-2-carbonyl]amino]propyl]tetrahydropyran-2-yl]sulfanylethyl 2-hydroxybenzoate
  • 2-hydroxybenzoic acid 2-[[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-[(1r,2r)-1-(hygroylamino)-2-methoxy-propyl]tetrahydropyran-2-yl]thio]ethyl ester
  • 2-hydroxybenzoic acid 2-[[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-[(1r,2r)-2-methoxy-1-[[[(2s)-1-methyl-2-pyrrolidinyl]-oxomethyl]amino]propyl]-2-tetrahydropyranyl]thio]ethyl ester
  • d-erythro-.alpha.-d-galacto-octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl6,8-dideoxy-7-o-methyl-6-[[[(2s)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-
  • d-erythro-alpha-d-galacto-octopyranoside, 2-((2-hydroxybenzoyl)oxy)ethyl 6,8-dideoxy-7-o-methyl-6-(((1-methyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-, (s)- (9ci)
  • d-erythro-d-galacto-octopyranoside, 2-hydroxyethyl 6,8-dideoxy-7-o-methyl-6-(1-methyl-l-2-pyrrolidinecarboxamido)-1-thio-, monosalicylate (ester), alpha- (8ci)
  • d-erythro-d-galacto-octopyranoside, 2-hydroxyethyl-6,8-dideoxy-7-o-methyl-6-(1-methyl-l-2-pyrrolidinecarboxamido)-1-thio-, monosalicylate (ester), alpha-
CAS Number(s)
  • 2520-21-0
  • 11027-24-0
  • 31326-72-4
  • 5460-13-9
InChIKey VMSQKUCYEMOKMM-HUQJOJSCSA-N
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