C53H66N7O8PSI CAS Rhif: 104992-55-4 Adenosine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-o- [(1,1-dime-'(2-bis-bis, niLsils methylethyl) ffosfforamidite] (aci)

nghynnyrch

C53H66N7O8PSI CAS Rhif: 104992-55-4 Adenosine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′-o- [(1,1-dime-'(2-bis-bis, niLsils methylethyl) ffosfforamidite] (aci)

Gwybodaeth Sylfaenol:


Manylion y Cynnyrch

Tagiau cynnyrch

Manylion Sylweddau

Rhif Cofrestrfa CAS

104992-55-4

Priodweddau Ffisegol Allweddol Gwerthfawrogom Cyflyrasoch
Pwysau moleciwlaidd 988.19 -
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) C1O [SI] (C) (C) C (C) (C) C) COC (C = 5C = CC = C6) = C Cc = c (oc) c = c7) n (c (c) c) c (c) c

Gwenau isomerig

C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C (C) C (C) C) OCCC#N) [C @@ H] (O [SI] (C (C) (C) C) (C) C) [C @@ H] (O1) n2C = 3C = C2) = C (nC (C2) = C N = CN3) (C5 = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7

Inchi

InChI= 1S/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-17-22-39,40-23-27-42(62-8)28-24-40 ) 41-25-29-43 ((66-51) 30-26-41) 66-51 (47 (46) 68-70 (10,11) 52 (5,6) 7) 59-35-57-45-48 (55-34-56-49-19-19 (45) 59) 59) 59) 59) 59) 59) 59 2-17,19-30,34-37,44,46-47,51h, 18,32-33h2,1-11H3, (h, 55,56,58,61)/t44-, 46-, 47-, 51-, 69?/M1/s1

Allwedd inchi

Ffxhncnnhasxct-rfmfgjhusa-n

1 enw arall ar y sylwedd hwn

Adenosine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O- [(1,1-dimethylethyl) dimethylsilyl]-, 3 ′- [2-cyanoethyl bis (1- methylethyl) ffosfforamidite] (9ci)

Sbectra arbrofol

Sbectra ar gael
Torfol

Eiddo a ragwelir

Eiddo ar gael
Biolegol
Gemegol
Lipinski
Strwythur yn gysylltiedig

Biolegol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Ffactor Bio -ganolbwynt 5.50 x 105 Ph 1; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.00 x 106 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 1.00 x 106 Ph 9; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.00 x 106 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 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

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Koc 9.24 x 105 Ph 10; TEMP: 25 ° C. (1) ACD
log 8.81 Ph 1; TEMP: 25 ° C. (1) ACD
log 10.24 Ph 2; TEMP: 25 ° C. (1) ACD
log 11.24 Ph 3; TEMP: 25 ° C. (1) ACD
log 11.73 Ph 4; TEMP: 25 ° C. (1) ACD
log 11.83 Ph 5; TEMP: 25 ° C. (1) ACD
log 11.83 Ph 6; TEMP: 25 ° C. (1) ACD
log 11.75 Ph 7; TEMP: 25 ° C. (1) ACD
log 11.31 Ph 8; TEMP: 25 ° C. (1) ACD
log 10.53 Ph 9; TEMP: 25 ° C. (1) ACD
log 9.99 Ph 10; TEMP: 25 ° C. (1) ACD
logio 11.845 ± 0.715 TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​torfol 1.2 x 10-5 g/l TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.5 x 10-3 g/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.1 x 10-4 g/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 9.9 x 10-6 g/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.4 x 10-6 g/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 2.7 x 10-6 g/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 2.7 x 10-6 g/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.2 x 10-6 g/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 8.9 x 10-6 g/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 6.3 x 10-5 g/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.2 x 10-4 g/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.2 x 10-6 g/l Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​molar 1.2 x 10-8 mol/l TEMP: 25 ° C. (1) ACD
Hydoddedd molar 3.5 x 10-6 mol/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.1 x 10-7 mol/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.0 x 10-8 mol/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 3.4 x 10-9 mol/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 2.7 x 10-9 mol/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 2.7 x 10-9 mol/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 3.2 x 10-9 mol/l Ph 7; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Hydoddedd molar 9.0 x 10-9 mol/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 6.4 x 10-8 mol/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 4.2 x 10-7 mol/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 3.2 x 10-9 mol/l Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 988.19
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 21   (1) ACD
H Derbynyddion 15   (1) ACD
H rhoddwyr 1   (1) ACD
H rhoddwr/derbynnydd swm 16   (1) ACD
logio 11.845 ± 0.715 TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 988.19    

Wedi'i gyfrifo gan ddefnyddio

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

Strwythur yn gysylltiedig

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

Datblygu Cemeg Uwch (ACD/LABS) Meddalwedd V11.02 (© 1994-2023 ACD/LABS)

Sbectra a ragwelir

Sbectra ar gael
1 h nmr
13 C NMR


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