C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI )

hua

C39H46FN4O8P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI )

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Taipitopito Matū

Tau Rehita CAS

146954-75-8

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha Molecular 748.78 -
pKa (I Matapaetia) 9.39±0.10 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

NGĀ ATA KANONA

N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= O)NC5=O)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](F)[C@@ H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C= C4)C5=CC=CC =C5

InChI

InChI= 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43- 23-21-34(45)42-38(43)46)25-49-39(28-11 -8-7-9-12-28,29-13-17-31(47-5)18- 14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1- 6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1

Kī InChI

HQHQPAYRJJMYQX-DJTPZYMWSA-N

1 Ētahi atu Ingoa mō tēnei matū

Uridine, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ -fluoro-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramide] (9CI)

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

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 457 pH 1;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3690 pH 2;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 27700 pH 3;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 82900 pH 4;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.04 x 105 pH 5;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.06 x 105 pH 6;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.06 x 105 pH 7;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.02 x 105 pH 8;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 76200 pH 9;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 22000 pH 10;Te Mahana: 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

Pūtake Tikanga Uara Taonga
Koc 592 pH 1;Temp: 25 °C (1) ACD
Koc 4790 pH 2;Temp: 25 °C (1) ACD
Koc 36000 pH 3;Temp: 25 °C (1) ACD
Koc 1.07 x 105 pH 4;Temp: 25 °C (1) ACD
Koc 1.34 x 105 pH 5;Temp: 25 °C (1) ACD
Koc 1.38 x 105 pH 6;Temp: 25 °C (1) ACD
Koc 1.37 x 105 pH 7;Temp: 25 °C (1) ACD
Koc 1.33 x 105 pH 8;Temp: 25 °C (1) ACD
Koc 98800 pH 9;Temp: 25 °C (1) ACD
Koc 28600 pH 10;Temp: 25 °C (1) ACD
rangitakiD 4.55 pH 1;Temp: 25 °C (1) ACD
rangitakiD 5.46 pH 2;Temp: 25 °C (1) ACD
rangitakiD 6.33 pH 3;Temp: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
rangitakiD 6.81 pH 4;Te Mahana: 25 °C (1) ACD
rangitakiD 6.91 pH 5;Te Mahana: 25 °C (1) ACD
rangitakiD 6.92 pH 6;Te Mahana: 25 °C (1) ACD
rangitakiD 6.92 pH 7;Te Mahana: 25 °C (1) ACD
rangitakiD 6.90 pH 8;Te Mahana: 25 °C (1) ACD
rangitakiD 6.77 pH 9;Te Mahana: 25 °C (1) ACD
rangitakiD 6.23 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiP 6.918±0.641 Te Mahana: 25 °C (1) ACD
Te Wairewa o roto 2.2 x 10-5 g/L Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 5.1 x 10-3 g/L pH 1;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 6.3 x 10-4 g/L pH 2;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 8.2 x 10-5 g/L pH 3;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.8 x 10-5 g/L pH 4;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.2 x 10-5 g/L pH 5;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.2 x 10-5 g/L pH 6;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.2 x 10-5 g/L pH 7;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.2 x 10-5 g/L pH 8;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.0 x 10-5 g/L pH 9;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.0 x 10-4 g/L pH 10;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 2.2 x 10-5 g/L Te Wai Whakakore pH 7.00;Te Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 2.9 x 10-8 mol/L Te Mahana: 25 °C (1) ACD
Molar Solubility 6.8 x 10-6 mol/L pH 1;Te Mahana: 25 °C (1) ACD
Molar Solubility 8.4 x 10-7 mol/L pH 2;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.1 x 10-7 mol/L pH 3;Te Mahana: 25 °C (1) ACD
Molar Solubility 3.7 x 10-8 mol/L pH 4;Te Mahana: 25 °C (1) ACD
Molar Solubility 3.0 x 10-8 mol/L pH 5;Te Mahana: 25 °C (1) ACD
Molar Solubility 2.9 x 10-8 mol/L pH 6;Te Mahana: 25 °C (1) ACD
Molar Solubility 2.9 x 10-8 mol/L pH 7;Te Mahana: 25 °C (1) ACD
Molar Solubility 3.0 x 10-8 mol/L pH 8;Te Mahana: 25 °C (1) ACD
Molar Solubility 4.0 x 10-8 mol/L pH 9;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.4 x 10-7 mol/L pH 10;Te Mahana: 25 °C (1) ACD
Molar Solubility 2.9 x 10-8 mol/L Te Wai Whakakore pH 7.00;Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Taumaha Molecular 748.78    
pKa 9.39±0.10 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 17   (1) ACD
H Nga Kaiwhiwhi 12   (1) ACD
H Nga Kaituku 1   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 13   (1) ACD
rangitakiP 6.918±0.641 Te Mahana: 25 °C (1) ACD
Taumaha Molecular 748.78    

(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 145 A2 (1) ACD

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


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