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

alaabta

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

Macluumaadka aasaasiga ah:


Faahfaahinta Alaabta

Tags Product

Faahfaahinta Walaxda

Lambarka Diiwaanka CAS

163759-94-2

Qalabka Jidhka ee Furaha ah Qiimaha Xaalad
Miisaanka Molecular 922.01 -
pKa (La saadaaliyay) 8.59±0.40 Heerkulka ugu acidic badan: 25 °C

Magacyo Kale iyo Aqoonsiyo

Dhoola-cadaynta Canonical

N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)) NC(=O)C=3C=CC=CC3)C)C1OCCOC =C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C

Dhoola-caddeyn

C (OC[C@@H] 1[C@@H] (OP(N(C(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

Furaha InChi

FLIGVMLIIDVDSN-GICDFOIUSA-N

26 Magacyo kale oo Walaxdan ah

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

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

S20030171313 BOGGA: 9 DNA sheegtay; 19: PN: US20030198965 PAGE: 20 ayaa sheegtay DNA; 19: PN: US20040005565 PAGE: 17- 22 ayaa sheegtay DNA; 19: PN: US20040005570 PAGE: 20 ayaa sheegtay DNA; 19: PN: US20040014051 PAGE: 22 DNA sheegtay; 20: PN: US20040014699 PAG

E: 20 DNA sheegtay; 21: PN: US20040006029 PAGE: 23 DNA sheegtay; 21: PN: WO03106645 PAGE: 72 DNA sheegtay; 61: PN: US20030

166592 PAGE: 15 ayaa sheegtay DNA; 7: PN: WO2005006958 PAGE: 62 DNA sheegtay; 84: PN: US20040171566 PAGE: 18 ayaa sheegtay DNA; 92:

PN: US20040005707 PAGE: 20 DNA sheegtay; 9: PN: WO2005007825 PAGE: 62 DNA sheegtay;N4-Benzoyl-2′-OMethoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′-phosphoramide;N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-methylcytidine-3′- amidite

Tijaabada Spectra

Spectra waa la heli karaa
13 C NMR
Hetero NMR

Guryaha la saadaaliyay

Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira

Nafley

Hanti Qiimaha Xaalad Xigasho
Qodobka bioconcentration 171 pH 1; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1250 pH 2; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 47600 pH 3; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 6.44 x 105 pH 4; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.00 x 106 pH 5; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.00 x 106 pH 6; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.00 x 106 pH 7; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 7.79 x 105 pH 8; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.63 x 105 pH 9; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 30800 pH 10; Heerkulka: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Kiimiko

Hanti Qiimaha Xaalad Xigasho
Koc 106 pH 1; Heerkulka: 25 °C (1) ACD
Koc 773 pH 2; Heerkulka: 25 °C (1) ACD
Koc 29500 pH 3; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Koc 3.99 x 105 pH 4; Heerkulka: 25 °C (1) ACD
Koc 8.02 x 105 pH 5; Heerkulka: 25 °C (1) ACD
Koc 8.70 x 105 pH 6; Heerkulka: 25 °C (1) ACD
Koc 8.16 x 105 pH 7; Heerkulka: 25 °C (1) ACD
Koc 4.83 x 105 pH 8; Heerkulka: 25 °C (1) ACD
Koc 1.01 x 105 pH 9; Heerkulka: 25 °C (1) ACD
Koc 19100kii pH 10; Heerkulka: 25 °C (1) ACD
logD 4.48 pH 1; Heerkulka: 25 °C (1) ACD
logD 5.34 pH 2; Heerkulka: 25 °C (1) ACD
logD 6.92 pH 3; Heerkulka: 25 °C (1) ACD
logD 8.06 pH 4; Heerkulka: 25 °C (1) ACD
logD 8.36 pH 5; Heerkulka: 25 °C (1) ACD
logD 8.39 pH 6; Heerkulka: 25 °C (1) ACD
logD 8.37 pH 7; Heerkulka: 25 °C (1) ACD
logD 8.14 pH 8; Heerkulka: 25 °C (1) ACD
logD 7.46 pH 9; Heerkulka: 25 °C (1) ACD
logD 6.73 pH 10; Heerkulka: 25 °C (1) ACD
logP 8.401± 0.723 Heerkulka: 25 °C (1) ACD
Solubility Mass Intrinsic 1.4 x 10-4 g/L Heerkulka: 25 °C (1) ACD
Solubility Mass 1.1 g/L pH 1; Heerkulka: 25 °C (1) ACD
Solubility Mass 0.16 g/L pH 2; Heerkulka: 25 °C (1) ACD
Solubility Mass 4.1 x 10-3 g/L pH 3; Heerkulka: 25 °C (1) ACD
Solubility Mass 3.0 x 10-4 g/L pH 4; Heerkulka: 25 °C (1) ACD
Solubility Mass 1.5 x 10-4 g/L pH 5; Heerkulka: 25 °C (1) ACD
Solubility Mass 1.4 x 10-4 g/L pH 6; Heerkulka: 25 °C (1) ACD
Solubility Mass 1.5 x 10-4 g/L pH 7; Heerkulka: 25 °C (1) ACD
Solubility Mass 2.5 x 10-4 g/L pH 8; Heerkulka: 25 °C (1) ACD
Solubility Mass 1.2 x 10-3 g/L pH 9; Heerkulka: 25 °C (1) ACD
Solubility Mass 6.3 x 10-3 g/L pH 10; Heerkulka: 25 °C (1) ACD
Solubility Mass 1.5 x 10-4 g/L Biyaha aan la daboolin pH 6.97; Heerkulka: 25 °C (1) ACD
Solubility Intrinsic Molar 1.5 x 10-7 mol/L Heerkulka: 25 °C (1) ACD
Solubility Molar 1.2 x 10-3 mol/L pH 1; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Solubility Molar 1.7 x 10-4 mol/L pH 2; Heerkulka: 25 °C (1) ACD
Solubility Molar 4.4 x 10-6 mol/L pH 3; Heerkulka: 25 °C (1) ACD
Solubility Molar 3.2 x 10-7 mol/L pH 4; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.6 x 10-7 mol/L pH 5; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.5 x 10-7 mol/L pH 6; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.6 x 10-7 mol/L pH 7; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.7 x 10-7 mol/L pH 8; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.3 x 10-6 mol/L pH 9; Heerkulka: 25 °C (1) ACD
Solubility Molar 6.8 x 10-6 mol/L pH 10; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.6 x 10-7 mol/L Biyaha aan la daboolin pH 6.97; Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 922.01    
pKa 8.59±0.40 Heerkulka ugu acidic badan: 25 °C (1) ACD
pKa 3.87±0.20 Heerkulka ugu badan ee aasaasiga ah: 25 °C (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Hanti Qiimaha Xaalad Xigasho
Boondhigyo si xor ah loo wareejin karo 22 (1) ACD
H Aqbalayaasha 15 (1) ACD
H Deeq-bixiyayaasha 1 (1) ACD
Ku-deeqaha/Aqbalka Wadarta 16 (1) ACD
logP 8.401± 0.723 Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 922.01

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Qaab-dhismeedka La Xiriira

Hanti Qiimaha Isha Xaaladda
Aagga dusha sare ee Polar 176 A2 (1) ACD

(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra la saadaaliyay

Spectra waa la heli karaa
1 H NMR
13 C NMR


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