4-Amino-1-{5-O-[3,11,20-Trioxo-21-(Phosphonooxy)Pregn-4-En-17-Yl]-β-D-Arabinofuranosyl}-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C30H40N3O12P
IUPAC Name [2-[(8s,9s,10r,13s,14s,17r)-17-[[(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate
Molecular Mass 665.625 g·mol−1
Heat of Formation -2347.8 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 739.93 Å 3
Surface Area 563.14 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • [2-[(8s,9s,10r,13s,14s,17r)-17-[[(2r,3s,4s,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-3,11-diketo-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] dihydrogen phosphate
  • [2-[(8s,9s,10r,13s,14s,17r)-17-[[(2r,3s,4s,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy]-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate
  • [2-[(8s,9s,10r,13s,14s,17r)-17-[[(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate
  • [2-[(8s,9s,10r,13s,14s,17r)-17-[[(2r,3s,4s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy]-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate
  • [2-[(8s,9s,10r,13s,14s,17r)-17-[[(2r,3s,4s,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate
  • cortisone-4-ara-c
  • cortisone-p-ara-c
  • pregn-4-ene-3,11,20-trione, 17-hydroxy-21-(phosphonooxy)-, 5'-ester with 4-amino-1-beta-d-arabinofuranosyl-2(1h)-pyrimidinone
CAS Number(s)
  • 74517-56-9
InChIKey DHSNAZUNWGTSHK-KCFRUSQFSA-N
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