C36H39N5O8 guanosine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl- n- (2-methyl-1-oxopropyl)-(9ci, aci)

nghynnyrch

C36H39N5O8 guanosine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl- n- (2-methyl-1-oxopropyl)-(9ci, aci)

Gwybodaeth Sylfaenol:


Manylion y Cynnyrch

Tagiau cynnyrch

Priodweddau Ffisegol

Priodweddau Ffisegol Allweddol Gwerthfawrogom Cyflyrasoch
Pwysau moleciwlaidd 669.72 -
Dwysedd (a ragwelir) 1.35 ± 0.1 g/cm3 Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir) 9.16 ± 0.20 Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwên Canonaidd O = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (C (OC) C = C5) C6 = CC = CC = C (OC) C = C6) C (O) C (O O) C (O) (O)
Gwenau isomerig
C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C3 = C (N = C2) C (= O) N = C (NC (C (C) C) = O) N3) (C4 = CC = CC = C (oc) = C = C (C
= Cc = c6
Inchi
InChI=1S/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35)37-20-41(31)34-30(47-5)29(42)27(49-34)19-48-36(22-9-7-6-8-10-2 2,23-11-15-25 (45-3) 16-12-23) 24-13-17-26 (46-4) 18-14-24/H6-18,20-21,27,29-30,34,42h, 19h2,1-5h3, (H2,38,40,43,43,43,43,43,43,43,
-/M1/S1
Allwedd inchi
Isqljogrnuqhjx-wifiacmtsa-n
1 enw arall ar y sylwedd hwn
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl-n- (2-methyl-1-oxopropyl) guanosine (ACI)

Eiddo a ragwelir

Eiddo ar gael
Biolegol
Gemegol
Ddwysedd
Lipinski
Strwythur yn gysylltiedig

Biolegol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Ffactor Bio -ganolbwynt 797 Ph 1; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2030 Ph 2; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2400 Ph 3; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2450 Ph 4; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2450 Ph 5; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2450 Ph 6; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2420 Ph 7; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2170 Ph 8; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1070 Ph 9; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 195 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 3020 Ph 1; TEMP: 25 ° C. (1) ACD
Koc 7680 Ph 2; TEMP: 25 ° C. (1) ACD
Koc 9100 Ph 3; TEMP: 25 ° C. (1) ACD
Koc 9270 Ph 4; TEMP: 25 ° C. (1) ACD
Koc 9290 Ph 5; TEMP: 25 ° C. (1) ACD
Koc 9280 Ph 6; TEMP: 25 ° C. (1) ACD
Koc 9170 Ph 7; TEMP: 25 ° C. (1) ACD
Koc 8220 Ph 8; TEMP: 25 ° C. (1) ACD
Koc 4050 Ph 9; TEMP: 25 ° C. (1) ACD
Koc 737 Ph 10; TEMP: 25 ° C. (1) ACD
log 4.27 Ph 1; TEMP: 25 ° C. (1) ACD
log 4.68 Ph 2; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
log 4.75 Ph 3; TEMP: 25 ° C. (1) ACD
log 4.76 Ph 4; TEMP: 25 ° C. (1) ACD
log 4.76 Ph 5; TEMP: 25 ° C. (1) ACD
log 4.76 Ph 6; TEMP: 25 ° C. (1) ACD
log 4.76 Ph 7; TEMP: 25 ° C. (1) ACD
log 4.71 Ph 8; TEMP: 25 ° C. (1) ACD
log 4.40 Ph 9; TEMP: 25 ° C. (1) ACD
log 3.66 Ph 10; TEMP: 25 ° C. (1) ACD
logio 4.763 ± 0.722 TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​torfol 3.1 x 10-4 g/l TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 9.4 x 10-4 g/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.7 x 10-4 g/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 x 10-4 g/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 x 10-4 g/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 x 10-4 g/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 x 10-4 g/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 x 10-4 g/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.5 x 10-4 g/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 7.4 x 10-4 g/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.9 x 10-3 g/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 3.1 x 10-4 g/l Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​molar 4.6 x 10-7 mol/l TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.4 x 10-6 mol/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 5.5 x 10-7 mol/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 4.7 x 10-7 mol/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 4.6 x 10-7 mol/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 4.6 x 10-7 mol/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 4.6 x 10-7 mol/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 4.6 x 10-7 mol/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 5.2 x 10-7 mol/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.1 x 10-6 mol/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 5.8 x 10-6 mol/l Ph 10; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Hydoddedd molar 4.6 x 10-7 mol/l Dŵr heb ei drin pH 6.99; TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 669.72    
PKA 9.16 ± 0.20 Mwyaf Temp Asidig: 25 ° C. (1) ACD
PKA 1.73 ± 0.10 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)

Ddwysedd

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Ddwysedd 1.35 ± 0.1 g/cm3 Temp: 20 ° C; Gwasg: 760 Torr (1) ACD
Cyfaint molar 494.4 ± 7.0 cm3/mol Temp: 20 ° C; Gwasg: 760 Torr (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 12   (1) ACD
H Derbynyddion 13   (1) ACD
H rhoddwyr 3   (1) ACD
H rhoddwr/derbynnydd swm 16   (1) ACD
logio 4.763 ± 0.722 TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 669.72    

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

Strwythur yn gysylltiedig

Eiddo Gwerthfawrogom

Cyflyrasoch

Ffynhonnell
Arwynebedd pegynol 155 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
1h nmr
13c nmr


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