N-(5-Cyano-4-Methoxy-7H-Pyrrolo[2,3-D]Pyrimidin-2-Yl)-6-Deoxy-4-O-(4-O-Methyl-β-D-Glucopyranosyl)-Alpha-D-Glucopyranosylamine

Molecule SVG Image

Properties Simple | Detailed

Formula C21H29N5O10
IUPAC Name 2-[[(2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]amino]-4-methoxy-pyrrolo[2,3-d]pyrimidin-7-ium-2-ylium-5-carbonitrile
Molecular Mass 511.482 g·mol−1
Heat of Formation -1480.9 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 568.76 Å 3
Surface Area 481.15 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 2-((6-deoxy-4-o-(4-o-methyl-beta-d-glucopyranosyl)-alpha-d-glucopyranosyl)amino)-4-methoxy-
  • 2-[[(2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-5-methoxy-6-methylol-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]amino]-4-methoxy-7h-pyrrolo[4,5-e]pyrimidine-5-carbonitrile
  • 2-[[(2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-oxan-2-yl]oxy-3,4-dihydroxy-6-methyl-oxan-2-yl]amino]-4-methoxy-7h-pyrrolo[4,5-e]pyrimidine-5-carbonitrile
  • 2-[[(2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl]amino]-4-methoxy-7h-pyrrolo[4,5-e]pyrimidine-5-carbonitrile
  • 2-[[(2s,3r,4r,5s,6r)-5-[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]amino]-4-methoxy-7h-pyrrolo[4,5-e]pyrimidine-5-carbonitrile
  • 2-[[(2s,3r,4r,5s,6r)-5-[[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-2-tetrahydropyranyl]oxy]-3,4-dihydroxy-6-methyl-2-tetrahydropyranyl]amino]-4-methoxy-7h-pyrrolo[4,5-e]pyrimidine-5-carbonitrile
  • antibiotic sf 1917
  • dapiramicin
  • dapiramicin a
  • sf 1917
CAS Number(s)
  • 67298-15-1
InChIKey ZBQJUUDIPOFIAD-CQTPLZCRSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N