Glyoxylic Acid 32-Ester With Doxorubicin 2-(Diethyl Acetal)

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Properties Simple | Detailed

Formula C33H39NO14
IUPAC Name (1s,3s)-3-[2-[2,2-di(ethoxy)acetyl]oxyacetyl]-3-hydroxy-1-[(2r,4s,5s,6s)-4-λ1-azanyl-6-methyl-5-oxido-tetrahydropyran-2-yl]oxy-10-methoxy-6,11-dioxo-1,2,4,7,8,9-hexahydrotetracene-7,8,9-triide-5,12-diolate
Molecular Mass 673.661 g·mol−1
Heat of Formation 1677.7 ± 16.7 kJ·mol−1
Dipole Moment 9.46 ± 1.08 D
Volume 693.78 Å 3
Surface Area 543.67 Å 2
Point Group Symmetry C1
Synonyms
  • 2,2-diethoxyacetic acid [2-[(2s,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,12-trihydroxy-6,11-diketo-7-methoxy-3,4-dihydro-1h-tetracen-2-yl]-2-keto-ethyl] ester
  • 2,2-diethoxyacetic acid [2-[(2s,4s)-4-[[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-2-tetrahydropyranyl]oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1h-tetracen-2-yl]-2-oxoethyl] ester
  • [2-[(2s,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1h-tetracen-2-yl]-2-oxo-ethyl] 2,2-diethoxyethanoate
  • [2-[(2s,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1h-tetracen-2-yl]-2-oxo-ethyl] 2,2-diethoxyacetate
  • [2-[(2s,4s)-4-[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1h-tetracen-2-yl]-2-oxoethyl] 2,2-diethoxyacetate
  • dea-14-dnr
  • rp-33921
InChIKey XZSRRNFBEIOBDA-CFNBKWCHSA-N
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