C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis(4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′- [2-cyanoethyl N, N-bis(1-methylethyl) fosfoor amidite] (ACI)

alaabta

C48H54N7O8P Adenosine, N-benzoyl-5′-O- [bis(4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′- [2-cyanoethyl N, N-bis(1-methylethyl) fosfoor amidite] (ACI)

Macluumaadka aasaasiga ah:


Faahfaahinta Alaabta

Tags Product

Faahfaahinta Walaxda

Lambarka Diiwaanka CAS

110782-31-5

H335, H331, H319, H315, H311, H301+H311+H331, H301

Qalabka Jidhka ee Furaha ah Qiimaha Xaalad
Miisaanka Molecular 887.96 -
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)C1OC)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)OCCC#N)[C@@H](OC) 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/C48H54N7O8P/c1-32(2)55(33(3)4)64(61-28-14-27-49)63-42-40(62-47(43(42)59-7)54- 31-52-41-44(50-30-51-45(41)54)53-46(5) 6)34-15-10-8-11-16-34)29-60-48(35-17-12-9-13-18-35,36-19-23-38 (57-5)24-20-36)37-21-25-39(58-6)26-22-37/h8-13,15-26,30-33,40,4 2-43,47H,14,28-29H2,1-7H3,(H,50,51,53,56)/t40-,42-,43-,47-,64?/m1/s1

Furaha InChi

AZCGOTUYEPXHMJ-PSVHYZMASA-N

2 Magacyo kale oo Walaxdan ah

Adenosin,N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) fosphoramite] (9CI); 5′-O-(4,4′-dimetoxytrityl)-N6-benzoyl-2′-O-methyladenosine 3′- (2-cyanoethylN,N-diisopropylphosphoramidite)

Tijaabada Spectra

Spectra waa la heli karaa
13 C NMR
Hetero NMR
Mass

Guryaha la saadaaliyay

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

Nafley

Hanti Qiimaha Xaalad Xigasho
Qodobka bioconcentration 4050 pH 1; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.08 x 105 pH 2; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 1.00 x 106 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 1.00 x 106 pH 8; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 2.10 x 105 pH 9; Heerkulka: 25 °C (1) ACD
Qodobka bioconcentration 60800 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 1830kii pH 1; Heerkulka: 25 °C (1) ACD
Koc 48700 pH 2; Heerkulka: 25 °C (1) ACD
Koc 4.91 x 105 pH 3; Heerkulka: 25 °C (1) ACD
Koc 1.52 x 106 pH 4; Heerkulka: 25 °C (1) ACD
Koc 1.90 x 106 pH 5; Heerkulka: 25 °C (1) ACD
Koc 1.91 x 106 pH 6; Heerkulka: 25 °C (1) ACD
Koc 1.57 x 106 pH 7; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Koc 5.78 x 105 pH 8; Heerkulka: 25 °C (1) ACD
Koc 95000 pH 9; Heerkulka: 25 °C (1) ACD
Koc 27500 pH 10; Heerkulka: 25 °C (1) ACD
logD 6.01 pH 1; Heerkulka: 25 °C (1) ACD
logD 7.43 pH 2; Heerkulka: 25 °C (1) ACD
logD 8.44 pH 3; Heerkulka: 25 °C (1) ACD
logD 8.93 pH 4; Heerkulka: 25 °C (1) ACD
logD 9.02 pH 5; Heerkulka: 25 °C (1) ACD
logD 9.02 pH 6; Heerkulka: 25 °C (1) ACD
logD 8.94 pH 7; Heerkulka: 25 °C (1) ACD
logD 8.51 pH 8; Heerkulka: 25 °C (1) ACD
logD 7.72 pH 9; Heerkulka: 25 °C (1) ACD
logD 7.18 pH 10; Heerkulka: 25 °C (1) ACD
logP 9.038± 0.723 Heerkulka: 25 °C (1) ACD
Solubility Mass Intrinsic 1.4 x 10-5 g/L Heerkulka: 25 °C (1) ACD
Xalka tirada badan 0.014 g/L pH 1; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.3 x 10-4 g/L pH 2; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 5.3 x 10-5 g/L pH 3; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.7 x 10-5 g/L pH 4; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.3 x 10-5 g/L pH 5; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.3 x 10-5 g/L pH 6; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.7 x 10-5 g/L pH 7; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 4.5 x 10-5 g/L pH 8; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 2.8 x 10-4 g/L pH 9; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 9.8 x 10-4 g/L pH 10; Heerkulka: 25 °C (1) ACD
Xalka tirada badan 1.7 x 10-5 g/L Biyaha aan la daboolin pH 6.99; Heerkulka: 25 °C (1) ACD
Solubility Intrinsic Molar 1.6 x 10-8 mol/L Heerkulka: 25 °C (1) ACD
Solubility Molar 1.6 x 10-5 mol/L pH 1; Heerkulka: 25 °C (1) ACD
Solubility Molar 6.0 x 10-7 mol/L pH 2; Heerkulka: 25 °C (1) ACD
Solubility Molar 6.0 x 10-8 mol/L pH 3; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.9 x 10-8 mol/L pH 4; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.5 x 10-8 mol/L pH 5; Heerkulka: 25 °C (1) ACD

 

Hanti Qiimaha Xaalad Xigasho
Solubility Molar 1.5 x 10-8 mol/L pH 6; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.9 x 10-8 mol/L pH 7; Heerkulka: 25 °C (1) ACD
Solubility Molar 5.1 x 10-8 mol/L pH 8; Heerkulka: 25 °C (1) ACD
Solubility Molar 3.1 x 10-7 mol/L pH 9; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.1 x 10-6 mol/L pH 10; Heerkulka: 25 °C (1) ACD
Solubility Molar 1.9 x 10-8 mol/L Biyaha aan la daboolin pH 6.99; Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 887.96    
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 19   (1) ACD
H Aqbalayaasha 15   (1) ACD
H Deeq-bixiyayaasha 1   (1) ACD
Ku-deeqaha/Aqbalka Wadarta 16   (1) ACD
logP 9.038± 0.723 Heerkulka: 25 °C (1) ACD
Miisaanka Molecular 887.96    

(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 178 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

Koodhka Bayaanka Khatarta Xigasho
H335 Waxa laga yaabaa inay keento cuncun xagga neefsiga ah Khabiir ayaa la qiimeeyay

 

Koodhka Bayaanka Khatarta Xigasho
H331 Sun haddii la nuugo Khabiir ayaa la qiimeeyay
H319 Waxay keentaa cuncun indhaha oo halis ah Khabiir ayaa la qiimeeyay
H315 Waxay sababtaa cuncun maqaarka Khabiir ayaa la qiimeeyay
H311 Sunta maqaarka la taabto Khabiir ayaa la qiimeeyay
H301+H311+H331 Sun ah haddii la liqo, maqaarka taabto ama la nuugo Khabiir ayaa la qiimeeyay
H301 Sun ah haddii la liqo Khabiir ayaa la qiimeeyay

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