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

hua

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

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Taipitopito Matū

Tau Rehita CAS

251647-53-7

H302

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha rāpoi 932.01 -
pKa (I matapaetia) 7.87±0.43 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

Nga Ataata 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

NGĀ ATA ISOMERIKA

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

Kī InChI

VPBYBQBHLYRLHG-HDMAWCRFSA-N

16 Ētahi atu Ingoa mō tēnei Matū

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

phosphoramidite] (9CI); 16: PN: US20030211606 PAGE: 19 kereme raupapa; 16: PN: US20030212017 PAGE: 20 te raupapa i kii; 17: PN: US20040005569 PAGE: 22 te raupapa i kii; 19: PN: US20040006030 PAGE: 23 te raupapa i kii; 19: PN: US20040014047

PAGE: 21 kereme raupapa; 19: PN: US20040014049 PAGE: 21 te raupapa i kii; 20: PN: US20040005570 PAGE: 20 i kii

raupapa; 20: PN: US20040014048 PAGE: 21 te raupapa i kii; 20: PN: US20040014050 PAGE: 20 kereme raupapa; 21: PN: U

S20040005565 PAGE: 17- 22 kereme raupapa; 21: PN: US20040014051 PAGE: 23 te raupapa i kii; 22: PN: US20040014699 PAGE: 20 te raupapa i kii; 23: PN: US20040006029 PAGE: 23 kereme raupapa; 23: PN: WO03106645 PAGE: 73 kereme raupapa; 94: P N: US20040005707 PAGE: 20 kereme raupapa

Spectra Whakamatau

Kei te waatea te Spectra
1 H NMR
13 C NMR
Hetero NMR

Nga Taonga Matapae

Nga rawa e waatea ana
Koiora
Te matū
Lipinski
Hanganga e Pa ana

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 2680 pH 1; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 71500 pH 2; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 7.21 x 105 pH 3; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.00 x 106 pH 4; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.00 x 106 pH 5; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.00 x 106 pH 6; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.00 x 106 pH 7; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 8.48 x 105 pH 8; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.39 x 105 pH 9; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 40300 pH 10; Te Mamahana: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Te matū

Taonga Uara Tikanga Puna
Koc 1360 pH 1; Te Mamahana: 25 °C (1) ACD
Koc 36300 pH 2; Te Mamahana: 25 °C (1) ACD
Koc 3.66 x 105 pH 3; Te Mamahana: 25 °C (1) ACD
Koc 1.13 x 106 pH 4; Te Mamahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Koc 1.42 x 106 pH 5; Te Mamahana: 25 °C (1) ACD
Koc 1.42 x 106 pH 6; Te Mamahana: 25 °C (1) ACD
Koc 1.17 x 106 pH 7; Te Mamahana: 25 °C (1) ACD
Koc 4.30 x 105 pH 8; Te Mamahana: 25 °C (1) ACD
Koc 70800 pH 9; Te Mamahana: 25 °C (1) ACD
Koc 20500 pH 10; Te Mamahana: 25 °C (1) ACD
rangitakiD 5.77 pH 1; Te Mamahana: 25 °C (1) ACD
rangitakiD 7.20 pH 2; Te Mamahana: 25 °C (1) ACD
rangitakiD 8.20 pH 3; Te Mamahana: 25 °C (1) ACD
rangitakiD 8.69 pH 4; Te Mamahana: 25 °C (1) ACD
rangitakiD 8.79 pH 5; Te Mamahana: 25 °C (1) ACD
rangitakiD 8.79 pH 6; Te Mamahana: 25 °C (1) ACD
rangitakiD 8.71 pH 7; Te Mamahana: 25 °C (1) ACD
rangitakiD 8.27 pH 8; Te Mamahana: 25 °C (1) ACD
rangitakiD 7.49 pH 9; Te Mamahana: 25 °C (1) ACD
rangitakiD 6.95 pH 10; Te Mamahana: 25 °C (1) ACD
rangitakiP 8.803±0.766 Te Mamahana: 25 °C (1) ACD
Te Wairewa o roto 5.4 x 10-5 g/L Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.051 g/L pH 1; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 1.9 x 10-3 g/L pH 2; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 1.9 x 10-4 g/L pH 3; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 6.0 x 10-5 g/L pH 4; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.8 x 10-5 g/L pH 5; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.8 x 10-5 g/L pH 6; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 5.8 x 10-5 g/L pH 7; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 1.6 x 10-4 g/L pH 8; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 9.3 x 10-4 g/L pH 9; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 3.6 x 10-3 g/L pH 10; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 5.7 x 10-5 g/L Te Wai Kore Kore Te pH 6.97; Te Mamahana: 25 °C (1) ACD
Molar Intrinsic Solubility 5.8 x 10-8 mol/L Te Mamahana: 25 °C (1) ACD
Molar Solubility 5.5 x 10-5 mol/L pH 1; Te Mamahana: 25 °C (1) ACD
Molar Solubility 2.0 x 10-6 mol/L pH 2; Te Mamahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Molar Solubility 2.0 x 10-7 mol/L pH 3; Te Mamahana: 25 °C (1) ACD
Molar Solubility 6.4 x 10-8 mol/L pH 4; Te Mamahana: 25 °C (1) ACD
Molar Solubility 5.1 x 10-8 mol/L pH 5; Te Mamahana: 25 °C (1) ACD
Molar Solubility 5.1 x 10-8 mol/L pH 6; Te Mamahana: 25 °C (1) ACD
Molar Solubility 6.2 x 10-8 mol/L pH 7; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.7 x 10-7 mol/L pH 8; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.0 x 10-6 mol/L pH 9; Te Mamahana: 25 °C (1) ACD
Molar Solubility 3.9 x 10-6 mol/L pH 10; Te Mamahana: 25 °C (1) ACD
Molar Solubility 6.1 x 10-8 mol/L Te Wai Kore Kore Te pH 6.97; Te Mamahana: 25 °C (1) ACD
Taumaha rāpoi 932.01    
pKa 7.87±0.43 Te Mahana Waiwawa Nui: 25 °C (1) ACD
pKa 3.45±0.70 Te Mahana Matua: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Taonga Uara Tikanga Puna
Nga here e taea te huri noa 22   (1) ACD
H Nga Kaiwhiwhi 16   (1) ACD
H Nga Kaituku 1   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 17   (1) ACD
rangitakiP 8.803±0.766 Te Mamahana: 25 °C (1) ACD
Taumaha rāpoi 932.01    

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Hanganga e Pa ana

Taonga Uara Puna Tikanga
Rohe Mata Polar 187 A2 (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Tohua Matapae

Kei te waatea te Spectra
1 H NMR
13 C NMR

Nga korero morearea a GHS

Puna Tauākī Pūmate Waehere
H302 He kino ki te horomia Te Tari Matū a te Pakeha (ECHA) Whakarōpū me te Tapanga

Inventory - Whakamōhiotanga whakarōpūtanga me te tapanga - te nuinga o nga whakamohiotanga, European Chemical Agency (ECHA)

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