C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramidite] (ACI)

nghynnyrch

C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis(1-methyl ethyl)phosphoramidite] (ACI)

Gwybodaeth Sylfaenol:


Manylion y Cynnyrch

Tagiau cynnyrch

Manylion Sylweddau

Rhif Cofrestrfa CAS

144089-97-4

Priodweddau Ffisegol Allweddol Gwerthfawrogom Cyflyrasoch
Pwysau moleciwlaidd 857.91 -
PKA (a ragwelir) 9.16 ± 0.20 Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwenau canonaidd

N#CCCOP (OC1C (F) C (OC1COC (C = 2C = CC = CC2) (C3 = CC = C (OC) C = C3) C4 = CC = C (OC) C = C4) N5C = NC = NC = 6C (= O) NC (C) (C) (C65

Gwenau isomerig

C (OC [C @@ H] 1 [c @@ H] (op (n (C (c) c) c (c) c) OCCC#n) [c @@ h] (f) [c @@ h] (o1) n2c3 = c (n = c2) c (= o) n = c (nc (c) = c) = c) = o) n3) (c) = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6

Inchi

Inchi = 1S/C44H53FN7O8P/C1-27 (2) 40 (53) 49-43-48-39-37 (41 (54) 50-43) 47-26-51 (39) 42-36 (45) 38 (58-61 (58-61 (58-61 (58-61 (58-61 (58-61 (58-61 (58-61 (58-61 (58-61 (58-12 6) 35 (59-42) 25-57-44 (30-13-10-9-11-14-30,31-15-19-33 (55-7) 20-16-31) 32-17-21-34 (56-8) 22-18-32/h9-11,11,38,38,38,38,38,38,38,38,38,38,38,38,38,38,38,38,38,36 24-25H2,1-8H3, (H2,48,49,50,53,54)/T35-, 36-, 38-, 42-, 61?/M1/S1

Allwedd inchi

KjfumxzzVyMqeu-aocjbpqjsa-n

1 enw arall ar y sylwedd hwn

Guanosine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′ -deoxy-2 ′ -fluoro-N-(2-methyl-1-oxopropyl)-, 3 ′-[2-cyanoethyl bis (ethyl 1-methyl) ffosfforamidite] (9Ci)

Eiddo a ragwelir

Eiddo ar gael
Biolegol
Gemegol
Lipinski
Strwythur yn gysylltiedig

Biolegol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Ffactor Bio -ganolbwynt 298 Ph 1; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 6350 Ph 2; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 57800 Ph 3; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.76 x 105 Ph 4; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2.21 x 105 Ph 5; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2.26 x 105 Ph 6; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2.24 x 105 Ph 7; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2.03 x 105 Ph 8; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.04 x 105 Ph 9; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 19300 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

Ffynhonnell Cyflwr Gwerth Eiddo
Koc 312 pH 1; TEMP: 25 ° C (1) ACD
KOC 6630 pH 2; TEMP: 25 ° C (1) ACD
KOC 60400 pH 3; TEMP: 25 ° C (1) ACD
KOC 1.84 x 105 pH 4; TEMP: 25 ° C (1) ACD
KOC 2.31 x 105 pH 5; TEMP: 25 ° C (1) ACD
KOC 2.37 x 105 pH 6; TEMP: 25 ° C (1) ACD
KOC 2.35 x 105 pH 7; TEMP: 25 ° C (1) ACD
KOC 2.12 x 105 pH 8; TEMP: 25 ° C (1) ACD
KOC 1.08 x 105 pH 9; TEMP: 25 ° C (1) ACD
KOC 20200 pH 10; TEMP: 25 ° C (1) ACD
logd 4.47 pH 1; TEMP: 25 ° C (1) ACD
logd 5.80 pH 2; TEMP: 25 ° C (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
log 6.76 Ph 3; TEMP: 25 ° C. (1) ACD
log 7.24 Ph 4; TEMP: 25 ° C. (1) ACD
log 7.34 Ph 5; TEMP: 25 ° C. (1) ACD
log 7.35 Ph 6; TEMP: 25 ° C. (1) ACD
log 7.35 Ph 7; TEMP: 25 ° C. (1) ACD
log 7.30 Ph 8; TEMP: 25 ° C. (1) ACD
log 7.01 Ph 9; TEMP: 25 ° C. (1) ACD
log 6.28 Ph 10; TEMP: 25 ° C. (1) ACD
logio 7.351 ± 0.713 TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​torfol 3.0 x 10-5 g/l TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 0.022 g/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.0 x 10-3 g/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.2 x 10-4 g/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.9 x 10-5 g/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 x 10-5 g/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.0 x 10-5 g/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.0 x 10-5 g/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.3 x 10-5 g/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 6.5 x 10-5 g/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.5 x 10-4 g/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.0 x 10-5 g/l Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​molar 3.5 x 10-8 mol/l TEMP: 25 ° C. (1) ACD
Hydoddedd molar 2.6 x 10-5 mol/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.2 x 10-6 mol/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.4 x 10-7 mol/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 4.5 x 10-8 mol/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 3.6 x 10-8 mol/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 3.5 x 10-8 mol/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 3.5 x 10-8 mol/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 3.9 x 10-8 mol/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 7.6 x 10-8 mol/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 4.1 x 10-7 mol/l Ph 10; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Hydoddedd molar 3.5 x 10-8 mol/l Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 857.91    
PKA 9.16 ± 0.20 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)

Strwythur yn gysylltiedig

Eiddo Gwerthfawrogom Ffynhonnell Cyflwr
Arwynebedd pegynol 184 A2 (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 18   (1) ACD
H Derbynyddion 15   (1) ACD
H rhoddwyr 2   (1) ACD
H rhoddwr/derbynnydd swm 17   (1) ACD
logio 7.351 ± 0.713 TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 857.91    

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


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