C34H39N3O8 cytidine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methox-anthyl) -5-methyl- (9ci, aci)

nghynnyrch

C34H39N3O8 cytidine, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methox-anthyl) -5-methyl- (9ci, aci)

Gwybodaeth Sylfaenol:


Manylion y Cynnyrch

Tagiau cynnyrch

Priodweddau Ffisegol

Priodweddau Ffisegol Allweddol Gwerthfawrogom Cyflyrasoch
Pwysau moleciwlaidd 617.69 -
Berwbwynt (a ragwelir) 762.6 ± 70.0 ° C. Gwasg: 760 Torr
Dwysedd (a ragwelir) 1.27 ± 0.1 g/cm3 Temp: 20 ° C; Gwasg: 760 Torr
PKA (a ragwelir) 13.31 ± 0.70 Mwyaf Temp Asidig: 25 ° C.

Enwau a dynodwyr eraill

Gwenau canonaidd o = c1n = c (n) c (= cn1c2oc (coc (c = 3c = cc = cc3) (c4 = cc = c (oc) c = c4) c5 = cc = c (oc) c = c5) c (o) c2occoc) c
Gwên isomerig C (OC [C@H] 1O [C@H] ([C@H] (OCCOC) [C @@ H] 1O) N2C (= O) N = C (N) C (C) = C2) (C3 = CC = C (C (OC) C = C3) (C4 = C = C = C)
Inchi
Inchi = 1S/C34H39N3O8/C1-22-20-37 (33 (39) 36-31 (22) 35) 32-30 (43-19-18-40-2) 29 (38) 28 (45-32) 21-44-34 (23-28-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-24-23 1-3) 15-11-24) 25-12-16-27 (42-4) 17-13-25/H5-17,20,28-30,32,38H, 18-19,21H2,1-4H3, (H2,35,36,39)/T28-, 29-, 30-/S11/M.
Allwedd inchi
Lyktvjjxzqtnpk-pbamlimusa-n
24 ENW arall ar gyfer y sylwedd hwn
5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) -5-methylcytidine (ACI); 11: PN: US20030170636 Tudalen: 17 Hawliedig RNA; 12: PN: US20030211606 Tudalen: 18 Hawliedig R NA; 12: PN: US20030212017 Tudalen: 19 Hawliedig R NA; 14: PN: US20040005569 PAG E: 21 Hawliedig R NA; 15: PN: US20040005565 Tudalen: 17- 22 Hawliedig RNA; 15: PN: US20040005570 Tudalen: 19 Hawliedig R NA; 15: PN: U S20040006030 Tudalen: 22 Hawliedig R NA; 15: PN: US20040014048 Tudalen: 19 Hawliedig R NA; 16: PN: US20030171313 Tudalen: 9 Hawliedig RNA; 16: PN: US20030198965 Tudalen: 19 Hawliedig R Na; 16: PN: US20040014047 Tudalen: 19 Hawliedig R NA; 16: PN: US20040014049 Tudalen:

19 hawlio RNA; 17: PN: US20040014051 Tudalen: 21 Hawliedig R NA; 17: PN: US20040014699 Tudalen: 19 Hawliedig R NA; 17: PN: w
O03106645 Tudalen: 69 Hawliedig R NA; 18: PN: US20040006029 Tudalen: 22 Hawliedig R NA; 2'-o-methoxyethyl-5'-o-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 Tudalen: 15 Hawliedig R Na; 5: PN: WO2005006958 Tudalen: 61 Hawliedig R NA; 7: PN: WO20050 07825 Tudalen: 61 Hawliedig R NA; 82: PN: US20040171566 Tudalen: 18 Hawliedig R NA; 89: PN: US20040005707 Tudalen: 19 Hawliedig R NA; 9: PN: WO03084478 Tudalen: 56 Hawliedig R NA

Eiddo a ragwelir

Eiddo ar gael
Biolegol
Gemegol
Ddwysedd
Lipinski
Strwythur yn gysylltiedig
Thermol

Biolegol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Ffactor Bio -ganolbwynt 1.56 Ph 1; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 1.99 Ph 2; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 6.19 Ph 3; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 38.0 Ph 4; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 116 Ph 5; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 146 Ph 6; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 150 Ph 7; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 151 Ph 8; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 151 Ph 9; TEMP: 25 ° C. (1) ACD
Ffactor Bio -ganolbwynt 151 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 13.0 Ph 1; TEMP: 25 ° C. (1) ACD
Koc 16.6 Ph 2; TEMP: 25 ° C. (1) ACD
Koc 51.8 Ph 3; TEMP: 25 ° C. (1) ACD
Koc 318 Ph 4; TEMP: 25 ° C. (1) ACD
Koc 966 Ph 5; TEMP: 25 ° C. (1) ACD
Koc 1220 Ph 6; TEMP: 25 ° C. (1) ACD
Koc 1260 Ph 7; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Koc 1260 Ph 8; TEMP: 25 ° C. (1) ACD
Koc 1260 Ph 9; TEMP: 25 ° C. (1) ACD
Koc 1260 Ph 10; TEMP: 25 ° C. (1) ACD
log 1.18 Ph 1; TEMP: 25 ° C. (1) ACD
log 1.29 Ph 2; TEMP: 25 ° C. (1) ACD
log 1.78 Ph 3; TEMP: 25 ° C. (1) ACD
log 2.57 Ph 4; TEMP: 25 ° C. (1) ACD
log 3.05 Ph 5; TEMP: 25 ° C. (1) ACD
log 3.16 Ph 6; TEMP: 25 ° C. (1) ACD
log 3.17 Ph 7; TEMP: 25 ° C. (1) ACD
log 3.17 Ph 8; TEMP: 25 ° C. (1) ACD
log 3.17 Ph 9; TEMP: 25 ° C. (1) ACD
log 3.17 Ph 10; TEMP: 25 ° C. (1) ACD
logio 3.169 ± 0.598 TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​torfol 5.2 x 10-3 g/l TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 0.51 g/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 0.40 g/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 0.13 g/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 0.020 g/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 6.8 x 10-3 g/l Ph 5; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 5.4 x 10-3 g/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 5.3 x 10-3 g/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 5.2 x 10-3 g/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 5.2 x 10-3 g/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 5.2 x 10-3 g/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd torfol 5.3 x 10-3 g/l Dŵr heb ei drin pH 7.05; TEMP: 25 ° C. (1) ACD
Hydoddedd cynhenid ​​molar 8.4 x 10-6 mol/l TEMP: 25 ° C. (1) ACD
Hydoddedd molar 8.2 x 10-4 mol/l Ph 1; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 6.4 x 10-4 mol/l Ph 2; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 2.1 x 10-4 mol/l Ph 3; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 3.3 x 10-5 mol/l Ph 4; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 1.1 x 10-5 mol/l Ph 5; TEMP: 25 ° C. (1) ACD

 

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Hydoddedd molar 8.7 x 10-6 mol/l Ph 6; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 8.5 x 10-6 mol/l Ph 7; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 8.4 x 10-6 mol/l Ph 8; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 8.4 x 10-6 mol/l Ph 9; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 8.4 x 10-6 mol/l Ph 10; TEMP: 25 ° C. (1) ACD
Hydoddedd molar 8.5 x 10-6 mol/l Dŵr heb ei drin pH 7.05; TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 617.69    
PKA 13.31 ± 0.70 Mwyaf Temp Asidig: 25 ° C. (1) ACD
PKA 4.58 ± 0.10 Temp mwyaf sylfaenol: 25 ° C. (1) ACD
Pwysau anwedd 1.89 x 10-24 Torr TEMP: 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 1.27 ± 0.1 g/cm3 Temp: 20 ° C; Gwasg: 760 Torr (1) ACD
Cyfaint molar 483.8 ± 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 14   (1) ACD
H Derbynyddion 11   (1) ACD
H rhoddwyr 3   (1) ACD
H rhoddwr/derbynnydd swm 14   (1) ACD
logio 3.169 ± 0.598 TEMP: 25 ° C. (1) ACD
Pwysau moleciwlaidd 617.69    

(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 134 A2 (1) ACD

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

Thermol

Eiddo Gwerthfawrogom Cyflyrasoch Ffynhonnell
Berwbwyntiau 762.6 ± 70.0 ° C. Gwasg: 760 Torr (1) ACD
Enthalpi anweddiad 116.53 ± 3.0 kJ/mol Gwasg: 760 Torr (1) ACD
Phwynt fflach 415.0 ± 35.7 ° C.   (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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