C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) ffosfforamidit] (ACI)

cynnyrch

C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) ffosfforamidit] (ACI)

Gwybodaeth Sylfaenol:


Manylion Cynnyrch

Tagiau Cynnyrch

Manylion Sylwedd

Rhif Cofrestrfa CAS

163759-94-2

Priodweddau Ffisegol Allweddol Gwerth Cyflwr
Pwysau Moleciwlaidd 922.01 -
pKa (Rhagweld) 8.59±0.40 Tymheredd Mwyaf Asidig: 25 °C

Enwau a Dynodwyr Eraill

GWênau Canonaidd

N# CCCOP(OC1C(OC(N2C=C(C(=NC2=O))NC(=O)C=3C=CC=CC3)C)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C 6)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](OCCOC)[C@@ H](O1)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5= CC=C(OC)C=C5)C6=CC=CC=C6

InChI

InChI = 1S/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13-) 10-14-19-38,39-20-24-41(59-7)25-21-39)40-22-26-42(60-8)27-23-40)64-48(45( 44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/ h9-14,16-27,32,34- 35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-, 45-,48-,66?/m1/s1

Allwedd InChI

FLIGVMLIIDVDSN-GICDFOIUSA-N

26 Enwau Eraill ar y Sylwedd hwn

Cytidine,N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl) phosphoramidite] (9CI);12: PN: WO03084478 TUDALEN: 57 hawlio DNA;14: PN: US20030170636 TUDALEN: 17 hawlio DNA;15: PN: U

S20030211606 TUDALEN: 19 hawlio DNA;15: PN: US20030212017 TUDALEN: 19 hawlio DNA;16: PN: US20040005569 TUDALEN: 22 hawlio DNA;17: PN: US20040006030 TUDALEN: 23 hawlio DNA;17: PN: US20040014049 TUDALEN: 20 hawlio DNA;18: PN: US20040014047 PAG E: 20 hawlio DNA;18: PN: US20040014048 TUDALEN: 20 hawlio DNA;18: PN: US20040014050 TUDALEN: 20 hawlio DNA;19: PN: U

S20030171313 TUDALEN: 9 hawlio DNA;19: PN: US20030198965 TUDALEN: 20 hawlio DNA;19: PN: US20040005565 TUDALEN: 17- 22 hawlio DNA;19: PN: US20040005570 TUDALEN: 20 hawlio DNA;19: PN: US20040014051 TUDALEN: 22 hawlio DNA;20: PN: US20040014699 PAG

E: 20 yn hawlio DNA;21: PN: US20040006029 TUDALEN: 23 hawlio DNA;21: PN: WO03106645 TUDALEN: 72 hawlio DNA;61: PN: US20030

166592 TUDALEN: 15 yn hawlio DNA;7: PN: WO2005006958 TUDALEN: 62 hawlio DNA;84: PN: US20040171566 TUDALEN: 18 hawlio DNA;92:

PN: US20040005707 TUDALEN: 20 hawlio DNA;9: PN: WO2005007825 TUDALEN: 62 hawlio DNA;N4-Benzoyl-2′ -O-methoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′ -phosphoramidite;N4-Benzoyl-2′ -O-methoxyethyl-5′ -O-dimethoxytrityl-5-methylcytidine-3′ - amidite

Sbectra Arbrofol

Sbectra ar gael
13 C NMR
Hetero NMR

Priodweddau Rhagfynegedig

Eiddo ar gael
Biolegol
Cemegol
Lipinski
Strwythur Cysylltiedig

Biolegol

Eiddo Gwerth Cyflwr Ffynhonnell
Ffactor Bio-ganolbwyntio 171 pH 1;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 1250 pH 2;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 47600 pH 3;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 6.44 x 105 pH 4;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 1.00 x 106 pH 5;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 1.00 x 106 pH 6;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 1.00 x 106 pH 7;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 7.79 x 105 pH 8;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 1.63 x 105 pH 9;Tymheredd: 25 °C (1) ACD
Ffactor Bio-ganolbwyntio 30800 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 106 pH 1;Tymheredd: 25 °C (1) ACD
Koc 773 pH 2;Tymheredd: 25 °C (1) ACD
Koc 29500 pH 3;Tymheredd: 25 °C (1) ACD

 

Eiddo Gwerth Cyflwr Ffynhonnell
Koc 3.99 x 105 pH 4;Tymheredd: 25 °C (1) ACD
Koc 8.02 x 105 pH 5;Tymheredd: 25 °C (1) ACD
Koc 8.70 x 105 pH 6;Tymheredd: 25 °C (1) ACD
Koc 8.16 x 105 pH 7;Tymheredd: 25 °C (1) ACD
Koc 4.83 x 105 pH 8;Tymheredd: 25 °C (1) ACD
Koc 1.01 x 105 pH 9;Tymheredd: 25 °C (1) ACD
Koc 19100 pH 10;Tymheredd: 25 °C (1) ACD
logD 4.48 pH 1;Tymheredd: 25 °C (1) ACD
logD 5.34 pH 2;Tymheredd: 25 °C (1) ACD
logD 6.92 pH 3;Tymheredd: 25 °C (1) ACD
logD 8.06 pH 4;Tymheredd: 25 °C (1) ACD
logD 8.36 pH 5;Tymheredd: 25 °C (1) ACD
logD 8.39 pH 6;Tymheredd: 25 °C (1) ACD
logD 8.37 pH 7;Tymheredd: 25 °C (1) ACD
logD 8.14 pH 8;Tymheredd: 25 °C (1) ACD
logD 7.46 pH 9;Tymheredd: 25 °C (1) ACD
logD 6.73 pH 10;Tymheredd: 25 °C (1) ACD
logP 8.401±0.723 Tymheredd: 25 °C (1) ACD
Hydoddedd Cynhenid ​​Torfol 1.4 x 10-4 g/L Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 1.1 g/L pH 1;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 0.16 g/L pH 2;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 4.1 x 10-3 g/L pH 3;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 3.0 x 10-4 g/L pH 4;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 1.5 x 10-4 g/L pH 5;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 1.4 x 10-4 g/L pH 6;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 1.5 x 10-4 g/L pH 7;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 2.5 x 10-4 g/L pH 8;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 1.2 x 10-3 g/L pH 9;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 6.3 x 10-3 g/L pH 10;Tymheredd: 25 °C (1) ACD
Hydoddedd Torfol 1.5 x 10-4 g/L Dŵr heb ei glustogi pH 6.97;Tymheredd: 25 °C (1) ACD
Hydoddedd Cynhenid ​​molar 1.5 x 10-7 mol/L Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 1.2 x 10-3 môl/L pH 1;Tymheredd: 25 °C (1) ACD

 

Eiddo Gwerth Cyflwr Ffynhonnell
Hydoddedd Molar 1.7 x 10-4 môl/L pH 2;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 4.4 x 10-6 mol/L pH 3;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 3.2 x 10-7 mol/L pH 4;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 1.6 x 10-7 môl/L pH 5;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 1.5 x 10-7 mol/L pH 6;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 1.6 x 10-7 môl/L pH 7;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 2.7 x 10-7 mol/L pH 8;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 1.3 x 10-6 mol/L pH 9;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 6.8 x 10-6 mol/L pH 10;Tymheredd: 25 °C (1) ACD
Hydoddedd Molar 1.6 x 10-7 môl/L Dŵr heb ei glustogi pH 6.97;Tymheredd: 25 °C (1) ACD
Pwysau Moleciwlaidd 922.01    
pKa 8.59±0.40 Tymheredd Mwyaf Asidig: 25 °C (1) ACD
pKa 3.87±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)

Lipinski

Eiddo Gwerth Cyflwr Ffynhonnell
Bondiau Cylchdroadwy 22 (1) ACD
H Derbynwyr 15 (1) ACD
H Rhoddwyr 1 (1) ACD
H Swm Rhoddwr/Derbynnydd 16 (1) ACD
logP 8.401±0.723 Tymheredd: 25 °C (1) ACD
Pwysau Moleciwlaidd 922.01

(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 176 A2 (1) ACD

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

Sbectr a Ragwelir

Sbectra ar gael
1 H NMR
13 C NMR


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