C48H54N7O8P Adenosine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-o-methyl-, 3 ′-[2-cyanoethyl n, n-bis (1-methylthyl) ffosffor

nghynnyrch

C48H54N7O8P Adenosine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-o-methyl-, 3 ′-[2-cyanoethyl n, n-bis (1-methylthyl) ffosffor

Gwybodaeth Sylfaenol:


Manylion y Cynnyrch

Tagiau cynnyrch

Manylion Sylweddau

Rhif Cofrestrfa CAS

110782-31-5

H335, H331, H319, H315, H311, H301+H311+H331, H301

Priodweddau Ffisegol Allweddol Gwerthfawrogom Cyflyrasoch
Pwysau moleciwlaidd 887.96 -
PKA (a ragwelir) 7.87 ± 0.43 Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwenau canonaidd

N#CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = 4C = CC = CC4) C1OC) COC (C = 5C = CC = CC5) (C6 = C6 = CC = C) = C) = C) C6 C6) (C6 C6) (C

Gwenau isomerig

C (OC [C @@ H] 1 [c @@ H] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (oc) [c @@ h] (o1) n2c = 3c (n = c2) = c (c (nc (= o) c4 = c1 = cn3) C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7

Inchi

Inchi = 1S/C48H54N7O8P/C1-32 (2) 55 (33 (3) 4) 64 (61-28-14-27-49) 63-42-40 (62-47 (43 (42) 59-7) 54) 54-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41-41. 6) 34-15-10-8-11-16-34) 29-60-48 (35-17-12-9-13-18-35,36-19-23-38 (57-5) 24-20-36) 37-21-25-30 (58-6) 26-22-33, 2-43,47H, 14,28-29H2,1-7H3, (H, 50,51,53,56)/T40-, 42-, 43-, 47-, 64?/M1/S1

Allwedd inchi

AzcgotuyepxHMj-ppsvhyzmasa-n

2 enw arall ar gyfer y sylwedd hwn

Adenosine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9ci); 5 ′ -O-(4,4 ′ -dimethoxytrityl) -n6-benzoyl-2 ′-O-methyladenosine 3 ′ -(2 -cyanoethylN,N-diisopropylphosphoramidite)

Sbectra arbrofol

Sbectra ar gael
13 C NMR
Hetero nmr
Torfol

Eiddo a ragwelir

Eiddo ar gael
Biolegol
Gemegol
Lipinski
Strwythur yn gysylltiedig

Biolegol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Ffactor Bio -ganolbwynt 4050 Ph 1; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.08 x 105 Ph 2; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.00 x 106 Ph 3; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.00 x 106 Ph 4; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.00 x 106 Ph 5; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.00 x 106 Ph 6; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.00 x 106 Ph 7; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.00 x 106 Ph 8; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2.10 x 105 Ph 9; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 60800 Ph 10; TEMP: 25 ° C. (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Gemegol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Koc 1830 Ph 1; TEMP: 25 ° C. (1) ACD
Koc 48700 Ph 2; TEMP: 25 ° C. (1) ACD
Koc 4.91 x 105 Ph 3; TEMP: 25 ° C. (1) ACD
Koc 1.52 x 106 Ph 4; TEMP: 25 ° C. (1) ACD
Koc 1.90 x 106 Ph 5; TEMP: 25 ° C. (1) ACD
Koc 1.91 x 106 Ph 6; TEMP: 25 ° C. (1) ACD
Koc 1.57 x 106 Ph 7; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Koc 5.78 x 105 Ph 8; TEMP: 25 ° C. (1) ACD
Koc 95000 Ph 9; TEMP: 25 ° C. (1) ACD
Koc 27500 Ph 10; TEMP: 25 ° C. (1) ACD
log 6.01 Ph 1; TEMP: 25 ° C. (1) ACD
log 7.43 Ph 2; TEMP: 25 ° C. (1) ACD
log 8.44 Ph 3; TEMP: 25 ° C. (1) ACD
log 8.93 Ph 4; TEMP: 25 ° C. (1) ACD
log 9.02 Ph 5; TEMP: 25 ° C. (1) ACD
log 9.02 Ph 6; TEMP: 25 ° C. (1) ACD
log 8.94 Ph 7; TEMP: 25 ° C. (1) ACD
log 8.51 Ph 8; TEMP: 25 ° C. (1) ACD
log 7.72 Ph 9; TEMP: 25 ° C. (1) ACD
log 7.18 Ph 10; TEMP: 25 ° C. (1) ACD
logio 9.038 ± 0.723 TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​torfol 1.4 x 10-5 g/l TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 0.014 g/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 5.3 x 10-4 g/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 5.3 x 10-5 g/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.7 x 10-5 g/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.3 x 10-5 g/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.3 x 10-5 g/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.7 x 10-5 g/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.5 x 10-5 g/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 2.8 x 10-4 g/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 9.8 x 10-4 g/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.7 x 10-5 g/l Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​molar 1.6 x 10-8 mol/l TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.6 x 10-5 mol/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 6.0 x 10-7 mol/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 6.0 x 10-8 mol/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.9 x 10-8 mol/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.5 x 10-8 mol/l Ph 5; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Hydoddedd molar 1.5 x 10-8 mol/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.9 x 10-8 mol/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 5.1 x 10-8 mol/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 3.1 x 10-7 mol/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.1 x 10-6 mol/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.9 x 10-8 mol/l Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 887.96    
PKA 7.87 ± 0.43 Mwyaf Temp Asidig: 25 ° C. (1) ACD
PKA 3.45 ± 0.70 Temp mwyaf sylfaenol: 25 ° C. (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Lipinski

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Bondiau rotatable yn rhydd 19   (1) ACD
H Derbynyddion 15   (1) ACD
H rhoddwyr 1   (1) ACD
H rhoddwr/derbynnydd swm 16   (1) ACD
logio 9.038 ± 0.723 TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 887.96    

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Strwythur yn gysylltiedig

Eiddo Gwerthfawrogom Ffynhonnell Cyflwr
Arwynebedd pegynol 178 A2 (1) ACD

(1) wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygu Cemeg Uwch (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Sbectra a ragwelir

Sbectra ar gael
1 h nmr
13 C NMR

Datganiadau Perygl GHS

Codiff Datganiad Peryglon Ffynhonnell
H335 Gall achosi llid anadlol Wedi'i guradu arbenigol

 

Codiff Datganiad Peryglon Ffynhonnell
H331 Gwenwynig os caiff ei anadlu Wedi'i guradu arbenigol
H319 Yn achosi llid llygad difrifol Wedi'i guradu arbenigol
H315 Yn achosi llid ar y croen Wedi'i guradu arbenigol
H311 Gwenwynig mewn cysylltiad â chroen Wedi'i guradu arbenigol
H301+H311+H331 Gwenwynig os caiff ei lyncu, mewn cysylltiad â chroen neu anadlu Wedi'i guradu arbenigol
H301 Gwenwynig os yw'n cael ei lyncu Wedi'i guradu arbenigol

  • Blaenorol:
  • Nesaf:

  • Ysgrifennwch eich neges yma a'i hanfon atom