5'-O-{(S)-Hydroxy[(3-{[(2R)-2-Hydroxy-3,3-Dimethyl-4-(Phosphonooxy)Butanoyl]Amino}Propanoyl)Oxy]Phosphoryl}Cytidine

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Properties Simple | Detailed

Formula C18H30N4O15P2
IUPAC Name [[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoate
Molecular Mass 604.396 g·mol−1
Heat of Formation -3332.2 ± 16.7 kJ·mol−1
Dipole Moment 12.56 ± 1.08 D
Volume 637.0 Å 3
Surface Area 531.1 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(2r)-2-hydroxy-3,3-dimethyl-1-oxo-4-phosphonooxybutyl]amino]propanoic acid [[(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] ester
  • 3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propionic acid [[(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] ester
  • 4'-phosphopantothenoyl- cytidine-5'-monophosphate
  • [[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] 3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoate
  • [[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] 3-[[(2r)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoate
  • phosphoric acid mono-[3-(3-{[5-(4-amino-2-oxo-2h-pyrimidin-1-yl)-3,4- dihydroxy-tetrahydro-furan-2- ylmethoxy]-hydroxy-phosphoryloxy}-3-oxo-propylcarbamoyl)-3-hydroxy-2,2- dimethyl-propyl] ester
InChIKey JURRMAHLXBVXRF-FIEZRUJPSA-N
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