C50H60N5O10P Cytidine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) Phenylmethyl] -2 ′ -o- (2-methoxyethyl)-5-methyl) Physhyl-, 3 ′

nghynnyrch

C50H60N5O10P Cytidine, N-Benzoyl-5 ′ -o- [bis (4-methoxyphenyl) Phenylmethyl] -2 ′ -o- (2-methoxyethyl)-5-methyl) Physhyl-, 3 ′

Gwybodaeth Sylfaenol:


Manylion y Cynnyrch

Tagiau cynnyrch

Manylion Sylweddau

Rhif Cofrestrfa CAS

163759-94-2

Priodweddau Ffisegol Allweddol Gwerthfawrogom Cyflyrasoch
Pwysau moleciwlaidd 922.01 -
PKA (a ragwelir) 8.59 ± 0.40 Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwenau canonaidd

N#CCCOP (OC1C (OC (N2C = C (C (= NC2 = O) NC (= O) C = 3C = CC = CC3) C) C1OCCOC) COC (C = 4C = CC = CC4) (C5 = CC = 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] (occoc) [c @@ h] (o1) n2c (= o) n = c (nc (= o) c3 = c3 = cc = cc = cc = c) = c = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = CC = C6

Inchi

Inchi = 1S/C50H60N5O10P/C1-34 (2) 55 (35 (3) 4) 66 (63-29-15-28-51) 65-44-43 (33-62-50 (38-18-13-13-10-14-19-20-24-7 (25-24-711 (25-20-2411111 ( ) 40-22-26-42 (60-8) 27-23-40) 64-48 (45 (44) 61-31-30-58-6) 54-32-36 (5) 46 (53-49 (54) 57) 52-47 (56-237-216-17-17-17-12-12-12-12-12-12-12-12-17-12-12-12-12-12-12-12-12-212-12-17-17-17-17-17-17-2 35,43-45,48H, 15,29-31,33h2,1-8H3, (h, 52,53,56,57)/t43-, 44-, 45-, 48-, 66?/M1/s1

Allwedd inchi

Fligvmliidvdsn-gicdfoiusa-n

26 Enwau eraill ar gyfer y sylwedd hwn

Cytidine,N-Benzoyl -5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-(2-methoxyethyl)-5-methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9ci); 12: PN: WO03084478 Tudalen: 57 Hawliedig DNA; 14: PN: US20030170636 Tudalen: 17 Hawliedig DNA; 15: PN: U.

S20030211606 Tudalen: 19 Hawliedig DNA; 15: PN: US20030212017 Tudalen: 19 Hawliedig DNA; 16: PN: US20040005569 Tudalen: 22 Hawliedig DNA; 17: PN: US20040006030 Tudalen: 23 Hawliedig DNA; 17: PN: US20040014049 Tudalen: 20 Hawliedig DNA; 18: PN: US20040014047 PAG E: 20 Hawliedig DNA; 18: PN: US20040014048 Tudalen: 20 honnodd DNA; 18: PN: US20040014050 Tudalen: 20 Hawliedig DNA; 19: PN: U.

S20030171313 Tudalen: 9 Hawliedig DNA; 19: PN: US20030198965 Tudalen: 20 honnodd DNA; 19: PN: US20040005565 Tudalen: 17- 22 Hawliedig DNA; 19: PN: US20040005570 Tudalen: 20 Hawliedig DNA; 19: PN: US20040014051 Tudalen: 22 Hawliedig DNA; 20: PN: US20040014699 PAG

E: 20 honnodd DNA; 21: PN: US20040006029 Tudalen: 23 Hawliedig DNA; 21: PN: WO03106645 Tudalen: 72 Hawliedig DNA; 61: PN: US20030

166592 Tudalen: 15 honnodd DNA; 7: PN: WO2005006958 Tudalen: 62 Hawliedig DNA; 84: PN: US20040171566 Tudalen: 18 Hawliedig DNA; 92:

PN: US20040005707 Tudalen: 20 honnodd DNA; 9: PN: WO2005007825 Tudalen: 62 Hawliedig DNA;N4-Benzoyl-2 ′-O-methoxyethyl-5-O-dimethoxytrityl-5-methylcytidine-3 ′ -phosphoramidite;N4-Benzoyl-2 ′-O-methoxyethyl -5 ′ -O-dimethoxytrityl-5-methylcytidine-3 ′-Amidite

Sbectra arbrofol

Sbectra ar gael
13 C NMR
Hetero nmr

Eiddo a ragwelir

Eiddo ar gael
Biolegol
Gemegol
Lipinski
Strwythur yn gysylltiedig

Biolegol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Ffactor Bio -ganolbwynt 171 Ph 1; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1250 Ph 2; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 47600 Ph 3; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 6.44 x 105 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 7.79 x 105 Ph 8; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.63 x 105 Ph 9; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 30800 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 106 Ph 1; TEMP: 25 ° C. (1) ACD
Koc 773 Ph 2; TEMP: 25 ° C. (1) ACD
Koc 29500 Ph 3; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Koc 3.99 x 105 Ph 4; TEMP: 25 ° C. (1) ACD
Koc 8.02 x 105 Ph 5; TEMP: 25 ° C. (1) ACD
Koc 8.70 x 105 Ph 6; TEMP: 25 ° C. (1) ACD
Koc 8.16 x 105 Ph 7; TEMP: 25 ° C. (1) ACD
Koc 4.83 x 105 Ph 8; TEMP: 25 ° C. (1) ACD
Koc 1.01 x 105 Ph 9; TEMP: 25 ° C. (1) ACD
Koc 19100 Ph 10; TEMP: 25 ° C. (1) ACD
log 4.48 Ph 1; TEMP: 25 ° C. (1) ACD
log 5.34 Ph 2; TEMP: 25 ° C. (1) ACD
log 6.92 Ph 3; TEMP: 25 ° C. (1) ACD
log 8.06 Ph 4; TEMP: 25 ° C. (1) ACD
log 8.36 Ph 5; TEMP: 25 ° C. (1) ACD
log 8.39 Ph 6; TEMP: 25 ° C. (1) ACD
log 8.37 Ph 7; TEMP: 25 ° C. (1) ACD
log 8.14 Ph 8; TEMP: 25 ° C. (1) ACD
log 7.46 Ph 9; TEMP: 25 ° C. (1) ACD
log 6.73 Ph 10; TEMP: 25 ° C. (1) ACD
logio 8.401 ± 0.723 TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​torfol 1.4 x 10-4 g/l TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.1 g/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 0.16 g/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 4.1 x 10-3 g/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.0 x 10-4 g/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.5 x 10-4 g/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.4 x 10-4 g/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.5 x 10-4 g/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 2.5 x 10-4 g/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.2 x 10-3 g/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 6.3 x 10-3 g/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.5 x 10-4 g/l Dŵr heb ei drin pH 6.97; TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​molar 1.5 x 10-7 mol/l TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.2 x 10-3 mol/l Ph 1; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Hydoddedd molar 1.7 x 10-4 mol/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 4.4 x 10-6 mol/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 3.2 x 10-7 mol/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.6 x 10-7 mol/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.5 x 10-7 mol/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.6 x 10-7 mol/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 2.7 x 10-7 mol/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.3 x 10-6 mol/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 6.8 x 10-6 mol/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.6 x 10-7 mol/l Dŵr heb ei drin pH 6.97; TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 922.01    
PKA 8.59 ± 0.40 Mwyaf Temp Asidig: 25 ° C. (1) ACD
PKA 3.87 ± 0.20 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 22 (1) ACD
H Derbynyddion 15 (1) ACD
H rhoddwyr 1 (1) ACD
H rhoddwr/derbynnydd swm 16 (1) ACD
logio 8.401 ± 0.723 TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 922.01

(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 176 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


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