C41H49FN5O8P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ffosffor amidite] (ACI)

cynnyrch

C41H49FN5O8P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl) ffosffor amidite] (ACI)

Gwybodaeth Sylfaenol:


Manylion Cynnyrch

Tagiau Cynnyrch

Manylion Sylwedd

Rhif Cofrestrfa CAS

159414-99-0

Priodweddau Ffisegol Allweddol Gwerth Cyflwr
Pwysau Moleciwlaidd 789.83 -
pKa (Rhagweld) 10.11±0.20 Tymheredd Mwyaf Asidig: 25 °C

 

Enwau a Dynodwyr Eraill

GWênau Canonaidd

N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= NC5=O)NC(=O)C)N(C(C)C)C(C)C

GWênau Isomerig

C(OC[C@@H]1[C@H](OP(N(C)C)C(C)C)OCCC#N)[C@@H](F)[C@@ H](O1)N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4 )C5=CC=CC=C5

InChI

InChI= 1S/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46- 24-22-36(44-29(5)48)45-40(46)49)26-52- 41(30-12-9-8-10-13-30,31-14-18-33( 50-6)19-15-31)32-16-20-34(51-7)21-17-32/h8-10,12-22,24,27-28,35,37-39H,11, 25-26H2,1-7H3,(H, 44,45,48,49)/t35-,37-,38-,39-,56?/m1/s1

Allwedd InChI

CNFKJHKDSRXNFL-UTXREMQHSA-N

1 Enw Arall ar y Sylwedd hwn

Cytidine,N- asetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl] -2′ -deoxy-2′ -fluoro-, 3′ - [2-cyanoethyl bis(1-methylethyl)ffosffor amidite] (9CI)
Sbectra ar gael
Offeren

Priodweddau Rhagfynegedig

Eiddo ar gael
Biolegol
Cemegol
Lipinski
Strwythur Cysylltiedig

Biolegol

Eiddo Gwerth Cyflwr Ffynhonnell
Ffactor Bio-ganolbwyntio 8.60 pH 1; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 90.3 pH 2; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 3940 pH 3; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 39100 pH 4; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 64300 pH 5; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 68100 pH 6; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 68300 pH 7; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 66800 pH 8; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 54300 pH 9; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 19200 pH 10; Tymheredd: 25 °C (1) ACD

(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Cemegol

Eiddo Gwerth Cyflwr Ffynhonnell
Koc 12.6 pH 1; Tymheredd: 25 °C (1) ACD
Koc 133 pH 2; Tymheredd: 25 °C (1) ACD
Koc 5790 pH 3; Tymheredd: 25 °C (1) ACD
Koc 57400 pH 4; Tymheredd: 25 °C (1) ACD
Koc 94500 pH 5; Tymheredd: 25 °C (1) ACD
Koc 1.00 x 105 pH 6; Tymheredd: 25 °C (1) ACD
Koc 1.00 x 105 pH 7; Tymheredd: 25 °C (1) ACD
Koc 98200 pH 8; Tymheredd: 25 °C (1) ACD
Koc 79700 pH 9; Tymheredd: 25 °C (1) ACD
Koc 28200 pH 10; Tymheredd: 25 °C (1) ACD

 

Eiddo Gwerth Cyflwr Ffynhonnell
logD 2.76 pH 1; Tymheredd: 25 °C (1) ACD
logD 3.79 pH 2; Tymheredd: 25 °C (1) ACD
logD 5.43 pH 3; Tymheredd: 25 °C (1) ACD
logD 6.42 pH 4; Tymheredd: 25 °C (1) ACD
logD 6.64 pH 5; Tymheredd: 25 °C (1) ACD
logD 6.66 pH 6; Tymheredd: 25 °C (1) ACD
logD 6.66 pH 7; Tymheredd: 25 °C (1) ACD
logD 6.65 pH 8; Tymheredd: 25 °C (1) ACD
logD 6.56 pH 9; Tymheredd: 25 °C (1) ACD
logD 6.11 pH 10; Tymheredd: 25 °C (1) ACD
logP 6.666±0.764 Tymheredd: 25 °C (1) ACD
Hydoddedd Cynhenid ​​Torfol 4.5 x 10-5 g/L Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 0.36 g/L pH 1; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 0.035 g/L pH 2; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 7.90 x 10-4 g/L pH 3; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 7.9 x 10-5 g/L pH 4; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 4.8 x 10-5 g/L pH 5; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 4.6 x 10-5 g/L pH 6; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 4.6 x 10-5 g/L pH 7; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 4.7 x 10-5 g/L pH 8; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 5.7 x 10-5 g/L pH 9; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 1.6 x 10-4 g/L pH 10; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 4.6 x 10-5 g/L Dŵr heb ei glustogi pH 7.00; Tymheredd: 25 °C (1) ACD
Hydoddedd Cynhenid ​​molar 5.7 x 10-8 môl/L Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 4.6 x 10-4 môl/L pH 1; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 4.4 x 10-5 môl/L pH 2; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 1.00 x 10-6 mol/L pH 3; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 1.0 x 10-7 mol/L pH 4; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 6.1 x 10-8 môl/L pH 5; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 5.8 x 10-8 môl/L pH 6; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 5.8 x 10-8 môl/L pH 7; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 5.9 x 10-8 môl/L pH 8; Tymheredd: 25 °C (1) ACD

 

Eiddo Gwerth Cyflwr Ffynhonnell
Hydoddedd Molar 7.2 x 10-8 môl/L pH 9; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 2.0 x 10-7 mol/L pH 10; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 5.8 x 10-8 môl/L Dŵr heb ei glustogi pH 7.00; Tymheredd: 25 °C (1) ACD
Pwysau Moleciwlaidd 789.83
pKa 10.11±0.20 Tymheredd Mwyaf Asidig: 25 °C (1) ACD
pKa 3.57±0.20 Tymheredd Mwyaf Sylfaenol: 25 °C (1) ACD

(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Strwythur Cysylltiedig

Eiddo Gwerth Ffynhonnell Cyflwr
Arwynebedd Pegynol 158 A2 (1) ACD

(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)


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