C30H29FN2O7 URIDINE, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'- fluoro- (9ci, aci)

nghynnyrch

C30H29FN2O7 URIDINE, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'- fluoro- (9ci, aci)

Gwybodaeth Sylfaenol:


Manylion y Cynnyrch

Tagiau cynnyrch

Priodweddau Ffisegol

Priodweddau Ffisegol Allweddol Gwerthfawrogom Cyflyrasoch
Pwysau moleciwlaidd 548.56 -
Toddi (arbrofol) 118-120 ° C. -
Dwysedd (a ragwelir) 1.38 ± 0.1 g/cm3 Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir) 9.39 ± 0.10 Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwên Canonaidd O = C1c = CN (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (C (OC) C = C5) C (O) C2F
Gwên isomerig C (OC [C@H] 1O [C@H] ([C@H] (F) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = C4 = CC = C = C = C1) C4) = C
Inchi
Inchi = 1S/C30H29FN2O7/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-27 (35) 26 (31) 28 (31) 28 (31) 28 (31) 28 (31) 21
-17-16-25 (34) 32-29 (33) 36/h3-17,24,26-28,35h, 18h2,1-2h3, (h, 32,34,36)/t24-, 26-, 27-, 28-/m1/s1
Allwedd inchi
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 enw arall ar y sylwedd hwn
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluorouridine (ACI)

Eiddo arbrofol

Eiddo ar gael
Thermol

Thermol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Pwynt toddi 118-120 ° C. (1) CAS

(1) Penjarla, Srishylam; Niwcleosidau, niwcleotidau ac asidau niwcleig, (2018), 37 (4), 232-247, Caplus

Sbectra arbrofol

Sbectra ar gael
1h nmr
13c nmr

Eiddo a ragwelir

Eiddo ar gael
Biolegol
Gemegol
Ddwysedd
Lipinski
Strwythur yn gysylltiedig

Biolegol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Ffactor Bio -ganolbwynt 3580 Ph 1; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 3580 Ph 2; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 3580 Ph 3; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 3580 Ph 4; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 3580 Ph 5; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 3580 Ph 6; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 3570 Ph 7; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 3430 Ph 8; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 2500 Ph 9; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 689 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 12200 Ph 1; TEMP: 25 ° C. (1) ACD
Koc 12200 Ph 2; TEMP: 25 ° C. (1) ACD
Koc 12200 Ph 3; TEMP: 25 ° C. (1) ACD
Koc 12200 Ph 4; TEMP: 25 ° C. (1) ACD
Koc 12200 Ph 5; TEMP: 25 ° C. (1) ACD
Koc 12200 Ph 6; TEMP: 25 ° C. (1) ACD
Koc 12100 Ph 7; TEMP: 25 ° C. (1) ACD
Koc 11700 Ph 8; TEMP: 25 ° C. (1) ACD
Koc 8480 Ph 9; TEMP: 25 ° C. (1) ACD
Koc 2340 Ph 10; TEMP: 25 ° C. (1) ACD
log 4.98 Ph 1; TEMP: 25 ° C. (1) ACD
log 4.98 Ph 2; TEMP: 25 ° C. (1) ACD
log 4.98 Ph 3; TEMP: 25 ° C. (1) ACD
log 4.98 Ph 4; TEMP: 25 ° C. (1) ACD
log 4.98 Ph 5; TEMP: 25 ° C. (1) ACD
log 4.98 Ph 6; TEMP: 25 ° C. (1) ACD
log 4.98 Ph 7; TEMP: 25 ° C. (1) ACD
log 4.96 Ph 8; TEMP: 25 ° C. (1) ACD
log 4.82 Ph 9; TEMP: 25 ° C. (1) ACD
log 4.26 Ph 10; TEMP: 25 ° C. (1) ACD
logio 4.979 ± 0.563 TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​torfol 9.9 x 10-5 g/l TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 9.9 x 10-5 g/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 9.9 x 10-5 g/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 9.9 x 10-5 g/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 9.9 x 10-5 g/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 9.9 x 10-5 g/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 9.9 x 10-5 g/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 9.9 x 10-5 g/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 9.9 x 10-5 g/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 1.4 x 10-4 g/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 5.0 x 10-4 g/l Ph 10; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Hydoddedd torfol 9.9 x 10-5 g/l Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​molar 1.8 x 10-7 mol/l TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.8 x 10-7 mol/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.8 x 10-7 mol/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.8 x 10-7 mol/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.8 x 10-7 mol/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.8 x 10-7 mol/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.8 x 10-7 mol/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.8 x 10-7 mol/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.8 x 10-7 mol/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 2.5 x 10-7 mol/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 9.2 x 10-7 mol/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.8 x 10-7 mol/l Dŵr heb ei drin pH 7.00; TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 548.56    
PKA 9.39 ± 0.10 Mwyaf Temp Asidig: 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 1.38 ± 0.1 g/cm3 Temp: 20 ° C; Gwasg: 760 Torr (1) ACD
Cyfaint molar 395.8 ± 5.0 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 10   (1) ACD
H Derbynyddion 9   (1) ACD
H rhoddwyr 2   (1) ACD
H rhoddwr/derbynnydd swm 11   (1) ACD
logio 4.979 ± 0.563 TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 548.56    

(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 107 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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