C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fflworo-N-(2-methyl-1-ocsopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-methyl ethyl)phosphoramidite] (ACI)

cynnyrch

C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fflworo-N-(2-methyl-1-ocsopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-methyl ethyl)phosphoramidite] (ACI)

Gwybodaeth Sylfaenol:


Manylion Cynnyrch

Tagiau Cynnyrch

Manylion Sylwedd

Rhif Cofrestrfa CAS

144089-97-4

Priodweddau Ffisegol Allweddol Gwerth Cyflwr
Pwysau Moleciwlaidd 857.91 -
pKa (Rhagweld) 9.16±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=NC=6C (=O)N=C(NC(=O)C(C)C)NC65)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)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C =C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6

InChI

InChI= 1S/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38(60- 61(58-24-12-23-46)52(28(3)4)29(5) 6) 35(59-42)25-57-44(30-13-10-9-11-14-30,31-15-19-33(55-7)20-16- 31) 32-17-21-34(56-8)22-18-32/h9-11,13-22,26-29,35-36,38,42H,12, 24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1/s1

Allwedd InChI

KJFUMXZZVYMQEU-AOCJBPQJSA-N

1 Enw Arall ar y Sylwedd hwn

Guanosin, 5′ -O- [bis(4-methoxyphenyl)ffenylmethyl]-2′ -deoxy-2′ -fflworo-N-(2-methyl-1-ocsopropyl)-, 3′ - [2-cyanoethyl bis(1-methyl ethyl)phosphoramidite] (9CI)

Priodweddau Rhagfynegedig

Eiddo ar gael
Biolegol
Cemegol
Lipinski
Strwythur Cysylltiedig

Biolegol

Eiddo Gwerth Cyflwr Ffynhonnell
Ffactor Bio-ganolbwyntio 298 pH 1; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 6350 pH 2; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 57800 pH 3; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 1.76 x 105 pH 4; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 2.21 x 105 pH 5; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 2.26 x 105 pH 6; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 2.24 x 105 pH 7; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 2.03 x 105 pH 8; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 1.04 x 105 pH 9; Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 19300 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 312 pH 1; Tymheredd: 25 °C (1) ACD
Koc 6630 pH 2; Tymheredd: 25 °C (1) ACD
Koc 60400 pH 3; Tymheredd: 25 °C (1) ACD
Koc 1.84 x 105 pH 4; Tymheredd: 25 °C (1) ACD
Koc 2.31 x 105 pH 5; Tymheredd: 25 °C (1) ACD
Koc 2.37 x 105 pH 6; Tymheredd: 25 °C (1) ACD
Koc 2.35 x 105 pH 7; Tymheredd: 25 °C (1) ACD
Koc 2.12 x 105 pH 8; Tymheredd: 25 °C (1) ACD
Koc 1.08 x 105 pH 9; Tymheredd: 25 °C (1) ACD
Koc 20200 pH 10; Tymheredd: 25 °C (1) ACD
logD 4.47 pH 1; Tymheredd: 25 °C (1) ACD
logD 5.80 pH 2; Tymheredd: 25 °C (1) ACD

 

Eiddo Gwerth Cyflwr Ffynhonnell
logD 6.76 pH 3; Tymheredd: 25 °C (1) ACD
logD 7.24 pH 4; Tymheredd: 25 °C (1) ACD
logD 7.34 pH 5; Tymheredd: 25 °C (1) ACD
logD 7.35 pH 6; Tymheredd: 25 °C (1) ACD
logD 7.35 pH 7; Tymheredd: 25 °C (1) ACD
logD 7.30 pH 8; Tymheredd: 25 °C (1) ACD
logD 7.01 pH 9; Tymheredd: 25 °C (1) ACD
logD 6.28 pH 10; Tymheredd: 25 °C (1) ACD
logP 7.351±0.713 Tymheredd: 25 °C (1) ACD
Hydoddedd Cynhenid ​​Torfol 3.0 x 10-5 g/L Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 0.022 g/L pH 1; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 1.0 x 10-3 g/L pH 2; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 1.2 x 10-4 g/L pH 3; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 3.9 x 10-5 g/L pH 4; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 3.1 x 10-5 g/L pH 5; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 3.0 x 10-5 g/L pH 6; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 3.0 x 10-5 g/L pH 7; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 3.3 x 10-5 g/L pH 8; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 6.5 x 10-5 g/L pH 9; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 3.5 x 10-4 g/L pH 10; Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 3.0 x 10-5 g/L Dŵr heb ei glustogi pH 7.00; Tymheredd: 25 °C (1) ACD
Hydoddedd Cynhenid ​​molar 3.5 x 10-8 môl/L Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 2.6 x 10-5 môl/L pH 1; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 1.2 x 10-6 mol/L pH 2; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 1.4 x 10-7 mol/L pH 3; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 4.5 x 10-8 môl/L pH 4; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 3.6 x 10-8 môl/L pH 5; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 3.5 x 10-8 môl/L pH 6; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 3.5 x 10-8 môl/L pH 7; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 3.9 x 10-8 môl/L pH 8; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 7.6 x 10-8 môl/L pH 9; Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 4.1 x 10-7 môl/L pH 10; Tymheredd: 25 °C (1) ACD

 

Eiddo Gwerth Cyflwr Ffynhonnell
Hydoddedd Molar 3.5 x 10-8 mol/L Dŵr heb ei glustogi pH 7.00; Tymheredd: 25 °C (1) ACD
Pwysau Moleciwlaidd 857.91    
pKa 9.16±0.20 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)

Strwythur Cysylltiedig

Eiddo Gwerth Ffynhonnell Cyflwr
Arwynebedd Pegynol 184 A2 (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 18   (1) ACD
H Derbynwyr 15   (1) ACD
H Rhoddwyr 2   (1) ACD
H Swm Rhoddwr/Derbynnydd 17   (1) ACD
logP 7.351±0.713 Tymheredd: 25 °C (1) ACD
Pwysau Moleciwlaidd 857.91    

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


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