2(1H)-Pyrimidinone, 4-Amino-1-[O-β-D-Galactopyranosyl-(1->2)-O-[β-D-Galactopyranosyl-(1->3)]-β-D-Arabinofuranosyl]-

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Properties Simple | Detailed

Formula C21H33N3O15
IUPAC Name formaldehyde; (1-formyl-2-oxo-vinyl) formate; (2r)-2-[[(2r,3s)-2-isocyano-2,3-dihydrofuran-3-yl]oxy]-2-(2-oxovinyloxy)acetaldehyde; isocyanomethylimino(oxo)methane; oxaldehyde
Molecular Mass 567.498 g·mol−1
Heat of Formation -2652.8 ± 16.7 kJ·mol−1
Dipole Moment 8.61 ± 1.08 D
Volume 599.01 Å 3
Surface Area 430.17 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-gal-1-4-gal-ara-c
  • 3'-o-galactopyranosyl-1-4-o-galactopyranosyl-ara-c
  • 3'-o-galactopyranosyl-1-4-o-galactopyranosylcytarabine
  • 4-amino-1-[(2r,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4r,5r)-5-(hydroxymethyl)-3,4-bis[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,3s,4r,5r)-5-methylol-3,4-bis[[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Number(s)
  • 155603-73-9
InChIKey ORAXAMWDQSXBKN-DVBHINJSSA-N
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