doxorubicin vs 2'-monophosphoadenosine-5'-diphosphate

doxorubicin | 2'-monophosphoadenosine-5'-diphosphate

| doxorubicin | 2'-monophosphoadenosine-5'-diphosphate formula | C_27H_29NO_11 | C_10H_16N_5O_13P_3 Hill formula | C_27H_29NO_11 | C_10H_16N_5O_13P_3 name | doxorubicin | 2'-monophosphoadenosine-5'-diphosphate IUPAC name | (7S, 9R)-7-[(2S, 4S, 5S, 6S)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6, 9, 11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8, 10-dihydro-7H-tetracene-5, 12-dione | [(2R, 3R, 4R, 5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate alternate names | (85-cis)-10 | adriamycin | adriblastin | adriblastina | (none) mass fractions | C (carbon) 59.7% | H (hydrogen) 5.38% | N (nitrogen) 2.58% | O (oxygen) 32.4% | C (carbon) 23.7% | H (hydrogen) 3.18% | N (nitrogen) 13.8% | O (oxygen) 41% | P (phosphorus) 18.3%

| doxorubicin | 2'-monophosphoadenosine-5'-diphosphate vertex count | 39 | 31 edge count | 50 | 41 Schultz index | 18727 | 10998 Wiener index | 4392 | 2671 Hosoya index | 1.085×10^8 | 1.015×10^6 Balaban index | 1.485 | 1.723

3D structure

| doxorubicin | 2'-monophosphoadenosine-5'-diphosphate molar mass | 543.52 g/mol | 507.18 g/mol phase | solid (at STP) | solid (at STP) melting point | 216 °C |

| doxorubicin | 2'-monophosphoadenosine-5'-diphosphate experimental LogP hydrophobicity | -0.5 | predicted LogP hydrophobicity | 1.41 | -1.08 predicted LogS | -2.67 | -2.03 experimental Caco-2 permeability | -6.8 |