C39H46FN4O8P Wridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fflworo-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI )

cynnyrch

C39H46FN4O8P Wridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fflworo-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI )

Gwybodaeth Sylfaenol:


Manylion Cynnyrch

Tagiau Cynnyrch

Manylion Sylwedd

Rhif Cofrestrfa CAS

146954-75-8

Priodweddau Ffisegol Allweddol Gwerth Cyflwr
Pwysau Moleciwlaidd 748.78 -
pKa (Rhagweld) 9.39±0.10 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(= O)NC5=O)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)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC =C5

InChI

InChI= 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43- 23-21-34(45)42-38(43)46)25-49-39(28-11-8-7-9-12-28,29-13-17-31(47-5)18- 14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1- 6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1

Allwedd InChI

HQHQPAYRJJMYQX-DJTPZYMWSA-N

1 Enw Arall ar y Sylwedd hwn

Uridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ -fluoro-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)

Eiddo ar gael
Biolegol
Cemegol
Lipinski
Strwythur Cysylltiedig

Biolegol

Eiddo Gwerth Cyflwr Ffynhonnell
Ffactor Bio-ganolbwyntio 457 pH 1;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 3690 pH 2;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 27700 pH 3;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 82900 pH 4;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 1.04 x 105 pH 5;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 1.06 x 105 pH 6;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 1.06 x 105 pH 7;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 1.02 x 105 pH 8;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 76200 pH 9;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 22000 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

Ffynhonnell Cyflwr Gwerth Eiddo
Koc 592 pH 1;Tymheredd: 25 °C (1) ACD
Koc 4790 pH 2;Tymheredd: 25 °C (1) ACD
Koc 36000 pH 3;Tymheredd: 25 °C (1) ACD
Koc 1.07 x 105 pH 4;Tymheredd: 25 °C (1) ACD
Koc 1.34 x 105 pH 5;Tymheredd: 25 °C (1) ACD
Koc 1.38 x 105 pH 6;Tymheredd: 25 °C (1) ACD
Koc 1.37 x 105 pH 7;Tymheredd: 25 °C (1) ACD
Koc 1.33 x 105 pH 8;Tymheredd: 25 °C (1) ACD
Koc 98800 pH 9;Tymheredd: 25 °C (1) ACD
Koc 28600 pH 10;Tymheredd: 25 °C (1) ACD
logD 4.55 pH 1;Tymheredd: 25 °C (1) ACD
logD 5.46 pH 2;Tymheredd: 25 °C (1) ACD
logD 6.33 pH 3;Tymheredd: 25 °C (1) ACD

 

Eiddo Gwerth Cyflwr Ffynhonnell
logD 6.81 pH 4;Tymheredd: 25 °C (1) ACD
logD 6.91 pH 5;Tymheredd: 25 °C (1) ACD
logD 6.92 pH 6;Tymheredd: 25 °C (1) ACD
logD 6.92 pH 7;Tymheredd: 25 °C (1) ACD
logD 6.90 pH 8;Tymheredd: 25 °C (1) ACD
logD 6.77 pH 9;Tymheredd: 25 °C (1) ACD
logD 6.23 pH 10;Tymheredd: 25 °C (1) ACD
logP 6.918±0.641 Tymheredd: 25 °C (1) ACD
Hydoddedd Cynhenid ​​Torfol 2.2 x 10-5 g/L Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 5.1 x 10-3 g/L pH 1;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 6.3 x 10-4 g/L pH 2;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 8.2 x 10-5 g/L pH 3;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 2.8 x 10-5 g/L pH 4;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 2.2 x 10-5 g/L pH 5;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 2.2 x 10-5 g/L pH 6;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 2.2 x 10-5 g/L pH 7;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 2.2 x 10-5 g/L pH 8;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 3.0 x 10-5 g/L pH 9;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 1.0 x 10-4 g/L pH 10;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 2.2 x 10-5 g/L Dŵr heb ei glustogi pH 7.00;Tymheredd: 25 °C (1) ACD
Hydoddedd Cynhenid ​​molar 2.9 x 10-8 môl/L Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 6.8 x 10-6 mol/L pH 1;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 8.4 x 10-7 mol/L pH 2;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 1.1 x 10-7 mol/L pH 3;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 3.7 x 10-8 môl/L pH 4;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 3.0 x 10-8 mol/L pH 5;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 2.9 x 10-8 môl/L pH 6;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 2.9 x 10-8 môl/L pH 7;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 3.0 x 10-8 mol/L pH 8;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 4.0 x 10-8 môl/L pH 9;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 1.4 x 10-7 môl/L pH 10;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 2.9 x 10-8 môl/L Dŵr heb ei glustogi pH 7.00;Tymheredd: 25 °C (1) ACD

 

Eiddo Gwerth Cyflwr Ffynhonnell
Pwysau Moleciwlaidd 748.78    
pKa 9.39±0.10 Tymheredd Mwyaf Asidig: 25 °C (1) ACD
pKa 3.45±0.70 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)

Lipinski

Eiddo Gwerth Cyflwr Ffynhonnell
Bondiau Cylchdroadwy 17   (1) ACD
H Derbynwyr 12   (1) ACD
H Rhoddwyr 1   (1) ACD
H Swm Rhoddwr/Derbynnydd 13   (1) ACD
logP 6.918±0.641 Tymheredd: 25 °C (1) ACD
Pwysau Moleciwlaidd 748.78    

(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 145 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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