C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) -, 3′- [2-cyanoethyl N, N-bis (1-methylethyl). phosphoramidite] (ACI)

alaabta

C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′- O- (2-methoxyethyl) -, 3′- [2-cyanoethyl N, N-bis (1-methylethyl). phosphoramidite] (ACI)

Macluumaadka aasaasiga ah:


Faahfaahinta Alaabta

Tags Product

Faahfaahinta Walaxda

Lambarka Diiwaanka CAS

251647-53-7

H302

Qalabka Jidhka ee Furaha ah Qiimaha Xaalad
Miisaanka Molecular 932.01 -
pKa (La saadaaliyay) 7.87±0.43 Heerkulka ugu acidic badan: 25 °C

Magacyada iyo Aqoonsiyada Kale

Dhoola-cadaynta Canonical

N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1OCCOC)COC(C=5C=CC=CC5)(C6=CC=C) (OC)C=C6)C7=CC=C(OC) C=C7)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=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC) =C(OC)C=C6)C7=CC=CC=C7

InChi

InChi= 1S/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-) 9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45) (44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11 -16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-, 44-,45-,49-,67?/m1/s1

Furaha InChi

VBYBQBHLYRLHG-HDMAWCRFSA-N

16 Magacyo kale oo Walaxdan ah

Adenosin,N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-(2-methoxyethyl)-, 3′- [2-cyanoethyl bis (1-methylethyl)

fosfooraska] (9CI); 16: PN: US20030211606 BOGGA: 19 isku xigxiga sheegtay; 16: PN: US20030212017 PAGE: 20 oo la sheegayo isku xigxig; 17: PN: US20040005569 PAGE: 22 oo la sheegayo isku xigxig; 19: PN: US20040006030 PAGE: 23 isku xigxiga sheegtay; 19: PN: US20040014047

BOG: 21 isku xigxiga sheegtey; 19: PN: US20040014049 BOGGA: 21 sheegashada isku xigxiga; 20: PN: US20040005570 PAGE: 20 sheegtay

isku xigxiga; 20: PN: US20040014048 BOGGA: 21 sheegashada isku xigxiga; 20: PN: US20040014050 PAGE: 20 isku xigxiga sheegtay; 21: PN: U

S20040005565 Bogga: 17-22 sheegashada isku xigxiga; 21: PN: US20040014051 BOGGA: 23 isku xigxiga sheegtay; 22: PN: US20040014699 PAGE: 20 isku xigxiga sheegtay; 23: PN: US20040006029 PAGE: 23 isku xigxiga sheegtay; 23: PN: WO03106645 BOGGA: 73 sheegasho isku xigxig; 94: P N: US20040005707 PAGE: 20 oo la sheegay

Tijaabada Spectra

Spectra waa la heli karaa
1 H NMR
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 2680 pH 1; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 71500 pH 2; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 7.21 x 105 pH 3; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.00 x 106 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 8.48 x 105 pH 8; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.39 x 105 pH 9; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 40300 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 1360 pH 1; Heerkulka: 25 °C (1) ACD
Koc 36300 pH 2; Heerkulka: 25 °C (1) ACD
Koc 3.66 x 105 pH 3; Heerkulka: 25 °C (1) ACD
Koc 1.13 x 106 pH 4; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Koc 1.42 x 106 pH 5; Heerkulka: 25 °C (1) ACD
Koc 1.42 x 106 pH 6; Heerkulka: 25 °C (1) ACD
Koc 1.17 x 106 pH 7; Heerkulka: 25 °C (1) ACD
Koc 4.30 x 105 pH 8; Heerkulka: 25 °C (1) ACD
Koc 70800 pH 9; Heerkulka: 25 °C (1) ACD
Koc 20500 pH 10; Heerkulka: 25 °C (1) ACD
logD 5.77 pH 1; Heerkulka: 25 °C (1) ACD
logD 7.20 pH 2; Heerkulka: 25 °C (1) ACD
logD 8.20 pH 3; Heerkulka: 25 °C (1) ACD
logD 8.69 pH 4; Heerkulka: 25 °C (1) ACD
logD 8.79 pH 5; Heerkulka: 25 °C (1) ACD
logD 8.79 pH 6; Heerkulka: 25 °C (1) ACD
logD 8.71 pH 7; Heerkulka: 25 °C (1) ACD
logD 8.27 pH 8; Heerkulka: 25 °C (1) ACD
logD 7.49 pH 9; Heerkulka: 25 °C (1) ACD
logD 6.95 pH 10; Heerkulka: 25 °C (1) ACD
logP 8.803 ± 0.766 Heerkulka: 25 °C (1) ACD
Solubility Mass Intrinsic 5.4 x 10-5 g/L Heerkulka: 25 °C (1) ACD
Xalka tirada badan 0.051 g/L pH 1; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.9 x 10-3 g/L pH 2; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.9 x 10-4 g/L pH 3; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 6.0 x 10-5 g/L pH 4; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.8 x 10-5 g/L pH 5; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.8 x 10-5 g/L pH 6; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.8 x 10-5 g/L pH 7; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.6 x 10-4 g/L pH 8; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 9.3 x 10-4 g/L pH 9; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 3.6 x 10-3 g/L pH 10; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.7 x 10-5 g/L Biyaha aan la daboolin pH 6.97; Heerkulka: 25 °C (1) ACD
Solubility Intrinsic Molar 5.8 x 10-8 mol/L Heerkulka: 25 °C (1) ACD
Solubility Molar 5.5 x 10-5 mol/L pH 1; Heerkulka: 25 °C (1) ACD
Solubility Molar 2.0 x 10-6 mol/L pH 2; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Solubility Molar 2.0 x 10-7 mol/L pH 3; Heerkulka: 25 °C (1) ACD
Solubility Molar 6.4 x 10-8 mol/L pH 4; Heerkulka: 25 °C (1) ACD
Solubility Molar 5.1 x 10-8 mol/L pH 5; Heerkulka: 25 °C (1) ACD
Solubility Molar 5.1 x 10-8 mol/L pH 6; Heerkulka: 25 °C (1) ACD
Solubility Molar 6.2 x 10-8 mol/L pH 7; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.7 x 10-7 mol/L pH 8; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.0 x 10-6 mol/L pH 9; Heerkulka: 25 °C (1) ACD
Solubility Molar 3.9 x 10-6 mol/L pH 10; Heerkulka: 25 °C (1) ACD
Solubility Molar 6.1 x 10-8 mol/L Biyaha aan la daboolin pH 6.97; Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 932.01    
pKa 7.87±0.43 Heerkulka ugu acidic badan: 25 °C (1) ACD
pKa 3.45 ± 0.70 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 16   (1) ACD
H Deeq-bixiyayaasha 1   (1) ACD
Ku-deeqaha/Aqbalka Wadarta 17   (1) ACD
logP 8.803 ± 0.766 Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 932.01    

(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 187 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

Bayaannada Khatarta GHS

Isha Bayaanka Khatarta Koodhka
H302 Waxyeelo ayay leedahay haddii la liqo Kala soocidda & calaamadaynta Wakaaladda Kiimikada Yurub (ECHA).

Inventory - Kala soocida la ogeysiiyay iyo calaamadaynta - ogeysiisyada ugu caansan, Wakaaladda Kiimikada Yurub (ECHA)

Kala-saarid&Alaab-qoritaan - Kala saarid la ogeysiiyay iyo calaamadeynta - ogeysiisyada ugu daran


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