C50h58n7o9p Adenesinese, N-Benzoyl-5 '-o- [2-methylethyl)-2' -
Nomoro ea ho re ngolisa
251647-7
H302
| Thepa ea bohlokoa ea 'mele | Boleng | Boemo |
| Boima ba Molecular | 932.01 | - |
| pka (e boletsoeng esale pele) | 7.87 ± 0.43 | Boholo ba tempele ea acidic: 25 ° C |
Cannonical smiles
N # CCCOP (OC1C (OC (N2C = NC = NC3) CC = CC5) N (C.) C) C) C) c
Isomerica e bososela
C (OC [OC @@ H] 1 [C @@ h] (OP (C = CC = C (OC) C = C5) (C6 = CC = C6) C7 = CC = cc
Inchi
Inchi = 1S / C50h584) 57 (35-63-5,3-6) 24-20) 24 9-21-25-41 (61-7) 26-22-39) 65-48-54-46-36 - H8-101,153, 32-32 42,424 4-45,48-31h, 14,28
Senotlolo sa Inchi
Vpbyqbqblyrlhg-hdmawcrfsa-n
Mabitso a mang a 16 bakeng sa ntho ena
Edenesinene,N-Benzoyl-5 '-O- [Bis (4-Meydoxl) PhenylMEthyl] -2 '-O- (2-Methoyethyl) -, 3 '- - - --yeothyl bis (1-methylethyl)
phosphoramite] (9ci); 4: Pn: PN: US20030211106 Leqephe la 19 4: PN: PN: US20030212011111111113 1 17: Pn: US20040005569 Page: 22 19: Pn: US20040006060033: 23 e tummeng; 19: PN: US20040014047
Leqephe: 21 tse tummeng; 19: Pn: US200400149 Leqephe: 21 Tse tummeng 20: PN: US200400055570 Page: 20 e reretsoeng
tatellano; 20: Pn: PN: US200400148 Leqephe: 21 Tse tummeng; 20: Pn: US20040014050 Leqephe: 21: Pn: U
S200400055565 LEQEPHE LA 17- 22 Tsebo ea Bokooa; 21 Pn: US200400140000000000 22: Pn: PN: US200400146996996996996 la 20. 23 Pn: PN: US200400060600299 Leqephe la 23 le bolailoe; 23: PN: Leqephe la Wo03106645 Leqephe: 73 e tummeng ka tatellano; 94: P N: US20040005707 Leqephe la 20 tse fetileng
Spectra e fumanehang
1 h nmr
13 c nmr
Hetero nmr
Thepa e fumanehang
Sa tlhaho
Lik'hemik'hale
LIPINSSKI
Sebopeho se amanang le
| Thepa | Boleng | Boemo | Mohloli |
| Linkho tsa BioCentration | 2680 | ph 1; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 71500 | ph 2; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 7.21 x 105 | ph 3; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 1.00 x 106 | PH 4; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 1.00 x 106 | ph 5; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 1.00 x 106 | PH 6; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 1.00 x 106 | PH 7; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 8.48 x 105 | PH 8; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 1.39 x 105 | ph 9; TEMP: 25 ° C | (1) ACD |
| Linkho tsa BioCentration | 40300 | ph 10; TEMP: 25 ° C | (1) ACD |
.
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 1360 | ph 1; TEMP: 25 ° C | (1) ACD |
| Koc | 36300 | ph 2; TEMP: 25 ° C | (1) ACD |
| Koc | 3.66 x 105 | ph 3; TEMP: 25 ° C | (1) ACD |
| Koc | 1.13 x 106 | PH 4; TEMP: 25 ° C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Koc | 1.42 x 106 | ph 5; TEMP: 25 ° C | (1) ACD |
| Koc | 1.42 x 106 | PH 6; TEMP: 25 ° C | (1) ACD |
| Koc | 1.17 x 106 | PH 7; TEMP: 25 ° C | (1) ACD |
| Koc | 4.30 x 105 | PH 8; TEMP: 25 ° C | (1) ACD |
| Koc | 70800 | ph 9; TEMP: 25 ° C | (1) ACD |
| Koc | 20500 | ph 10; TEMP: 25 ° C | (1) ACD |
| logd | 5.77 | ph 1; TEMP: 25 ° C | (1) ACD |
| logd | 7.20 | ph 2; TEMP: 25 ° C | (1) ACD |
| logd | 8.20 | ph 3; TEMP: 25 ° C | (1) ACD |
| logd | 8.69 | PH 4; TEMP: 25 ° C | (1) ACD |
| logd | 8.79 | ph 5; TEMP: 25 ° C | (1) ACD |
| logd | 8.79 | PH 6; TEMP: 25 ° C | (1) ACD |
| logd | 8.71 | PH 7; TEMP: 25 ° C | (1) ACD |
| logd | 8.27 | PH 8; TEMP: 25 ° C | (1) ACD |
| logd | 7.49 | ph 9; TEMP: 25 ° C | (1) ACD |
| logd | 6.95 | ph 10; TEMP: 25 ° C | (1) ACD |
| Logp | 8.803 ± 0.766 | TEMP: 25 ° C | (1) ACD |
| Mass Interrincic solubility | 5.4 x 10-5 g / l | TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 0.051 g / l | ph 1; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 1.9 x 10-3 g / l | ph 2; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 1.9 x 10-4 g / l | ph 3; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 6.0 x 10-5 g / l | PH 4; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 4.8 x 10-5 g / l | ph 5; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 4.8 x 10-5 g / l | PH 6; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 5.8 x 10-5 g / l | PH 7; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 1.6 x 10-4 g / l | PH 8; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 9.3 x 10-4 g / l | ph 9; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 3.6 x 10-3 g / l | ph 10; TEMP: 25 ° C | (1) ACD |
| Mass Slisedity | 5.7 x 10-5 g / l | Ph 6 6.97; TEMP: 25 ° C | (1) ACD |
| Molala oa Molala oa Molala | 5.8 x 10-8 MOL / L | TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 5.5 x 10-5 mol / L | ph 1; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 2.0 x 10-6 mol / L | ph 2; TEMP: 25 ° C | (1) ACD |
| Thepa | Boleng | Boemo | Mohloli |
| Molala ea lla | 2.0 x 10-7 Mol / L | ph 3; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 6.4 x 10-8 MOL / L | PH 4; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 5.1 x 10-8 MOL / L | ph 5; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 5.1 x 10-8 MOL / L | PH 6; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 6.2 x 10-8 MOL / L | PH 7; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 1.7 x 10-7 Mol / L | PH 8; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 1.0 x 10-6 mol / L | ph 9; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 3.9 x 10-6 mol / L | ph 10; TEMP: 25 ° C | (1) ACD |
| Molala ea lla | 6.1 x 10-8 MOL / L | Ph 6 6.97; TEMP: 25 ° C | (1) ACD |
| Boima ba Molecular | 932.01 | ||
| pka | 7.87 ± 0.43 | Boholo ba tempele ea acidic: 25 ° C | (1) ACD |
| pka | 3.45 ± 0.70 | Boholo ba mosebetsi oa mantlha: 25 ° C | (1) ACD |
.
| Thepa | Boleng | Boemo | Mohloli |
| Li-litlama tse potolohileng ka bolokolohi | 22 | (1) ACD | |
| H | 16 | (1) ACD | |
| H donors | 1 | (1) ACD | |
| H donor / Canot | 17 | (1) ACD | |
| Logp | 8.803 ± 0.766 | TEMP: 25 ° C | (1) ACD |
| Boima ba Molecular | 932.01 |
.
| Thepa | Boleng | Mohloli oa Boemo |
| Sebaka sa polar. | 187 A2 | (1) ACD |
.
Spectra e fumanehang
1 h nmr
13 c nmr
| Mohloli oa Polelo ea Code Harver | |
| H302 Kotsi e Kotsi Haeba e Metsoa | European Agency (ECHA) Selali le Labeding Setsi sa "Tloaelo e Khethiloeng le Labeli" Khetho ea likheo le ho ngolana - likheo tsa ho tsebisoa le ho ngolisa - tsebiso e matla haholo |
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