C53h666N7o8Psi ke hana .: 104992-55-4 -kzoyl-5 '- - Methylethyl) Phosphoramidi] (aci)
Nomoro ea ho re ngolisa
104992-555
Thepa ea bohlokoa ea 'mele | Boleng | Boemo |
Boima ba Molecular | 988.19 | - |
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 (C) CC4) CC3 CC3 CC CC = C (OC) C = C7) n (C (C (C (C) c) c
Isomerica e bososela
C (OC [OC 0 C @@ h] 1 [C @@ h] N = CN3) (C5 = CC = C.) C = C5) (C6 = CC = CC = CC = c8
Inchi
Inchi = 1 / C53h6N7o8Psi / C1-36 (2) 60 (33-5-5-42-8) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) 28-24) ) 41-25-23 (63-9) 30-26) 66-51 (45-34-5-37,1) 33-19) 38-19 2-17,19-30 44-37,46-47,51h, 18,32-33h2,15-, 47-, 69? / M1 / S1
Senotlolo sa Inchi
Ffxhnncnthasxct-rfmfgjhusa-n
1 Lebitso le leng bakeng sa ntho ena
Edenesinene,N-Benzoyl-5 '-O- [Bis (4-Meydoxl) PhenylMEthyl] -2 '-O- [1,1-dimethylethyl) Didyylsilyl] dimmkylsilyl] - - - -
Spectra e fumanehang
Mass
Thepa e fumanehang
Sa tlhaho
Lik'hemik'hale
LIPINSSKI
Sebopeho se amanang le
Thepa | Boleng | Boemo | Mohloli |
Linkho tsa BioCentration | 5.50 X 105 | ph 1; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | ph 2; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | 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 | 1.00 x 106 | PH 8; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | ph 9; TEMP: 25 ° C | (1) ACD |
Linkho tsa BioCentration | 1.00 x 106 | ph 10; TEMP: 25 ° C | (1) ACD |
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Thepa | Boleng | Boemo | Mohloli |
Koc | 61500 | ph 1; TEMP: 25 ° C | (1) ACD |
Koc | 1.64 x 106 | ph 2; TEMP: 25 ° C | (1) ACD |
Koc | 1.00 x 107 | ph 3; TEMP: 25 ° C | (1) ACD |
Koc | 1.00 x 107 | PH 4; TEMP: 25 ° C | (1) ACD |
Koc | 1.00 x 107 | ph 5; TEMP: 25 ° C | (1) ACD |
Koc | 1.00 x 107 | PH 6; TEMP: 25 ° C | (1) ACD |
Koc | 1.00 x 107 | PH 7; TEMP: 25 ° C | (1) ACD |
Koc | 1.00 x 107 | PH 8; TEMP: 25 ° C | (1) ACD |
Koc | 3.20 x 106 | ph 9; TEMP: 25 ° C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Koc | 9.24 x 105 | ph 10; TEMP: 25 ° C | (1) ACD |
logd | 8.81 | ph 1; TEMP: 25 ° C | (1) ACD |
logd | 10.24 | ph 2; TEMP: 25 ° C | (1) ACD |
logd | 11.24 | ph 3; TEMP: 25 ° C | (1) ACD |
logd | 11.73 | PH 4; TEMP: 25 ° C | (1) ACD |
logd | 11.83 | ph 5; TEMP: 25 ° C | (1) ACD |
logd | 11.83 | PH 6; TEMP: 25 ° C | (1) ACD |
logd | 11.75 | PH 7; TEMP: 25 ° C | (1) ACD |
logd | 11.31 | PH 8; TEMP: 25 ° C | (1) ACD |
logd | 10.53 | ph 9; TEMP: 25 ° C | (1) ACD |
logd | 9.99 | ph 10; TEMP: 25 ° C | (1) ACD |
Logp | 11.845 ± 0.715 | TEMP: 25 ° C | (1) ACD |
Mass Interrincic solubility | 1.2 x 10-5 g / l | TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 3.5 x 10-3 g / l | ph 1; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 1.1 x 10-4 g / l | ph 2; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 9.9 x 10-6 g / l | ph 3; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 3.4 x 10-6 g / l | PH 4; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 2.7 x 10-6 g / l | ph 5; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 2.7 x 10-6 g / l | PH 6; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 3.2 x 10-6 g / l | PH 7; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 8.9 x 10-6 g / l | PH 8; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 6.3 x 10-5 g / l | ph 9; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 4.2 x 10-4 g / l | ph 10; TEMP: 25 ° C | (1) ACD |
Mass Slisedity | 3.2 x 10-6 g / l | Ph ea metsi e sa sebetsoeng 7.00; TEMP: 25 ° C | (1) ACD |
Molala oa Molala oa Molala | 1.2 x 10-8 MOL / L | TEMP: 25 ° C | (1) ACD |
Molala ea lla | 3.5 x 10-6 mol / L | ph 1; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.1 x 10-7 Mol / L | ph 2; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 1.0 x 10-8 MOL / L | ph 3; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 3.4 x 10-9 Mol / L | PH 4; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 2.7 x 10-9 Mol / L | ph 5; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 2.7 x 10-9 Mol / L | PH 6; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 3.2 x 10-9 Mol / L | PH 7; TEMP: 25 ° C | (1) ACD |
Thepa | Boleng | Boemo | Mohloli |
Molala ea lla | 9.0 x 10-9 Mol / L | PH 8; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 6.4 x 10-8 MOL / L | ph 9; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 4.2 x 10-7 Mol / L | ph 10; TEMP: 25 ° C | (1) ACD |
Molala ea lla | 3.2 x 10-9 Mol / L | Ph ea metsi e sa sebetsoeng 7.00; TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 988.19 | ||
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 |
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Thepa | Boleng | Boemo | Mohloli |
Li-litlama tse potolohileng ka bolokolohi | 21 | (1) ACD | |
H | 15 | (1) ACD | |
H donors | 1 | (1) ACD | |
H donor / Canot | 16 | (1) ACD | |
Logp | 11.845 ± 0.715 | TEMP: 25 ° C | (1) ACD |
Boima ba Molecular | 988.19 |
Thepa | Boleng | Mohloli oa Boemo |
Sebaka sa polar. | 178 A2 | (1) ACD |
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Nts'etsopele ea phetoho e tsoetseng pele (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra e fumanehang
1 h nmr
13 c nmr