C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-methyl ethyl)phosphoramidite] (ACI)

hua

C44H53FN7O8 Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fluoro-N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N, N-bis(1-methyl ethyl)phosphoramidite] (ACI)

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Taipitopito Matū

Tau Rehita CAS

144089-97-4

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha Molecular 857.91 -
pKa (I Matapaetia) 9.16±0.20 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= NC=6C (=O)N=C(NC(=O)C(C)C)NC65)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)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C =C4)(C5 =CC=C(OC)C=C5)C6=CC=CC=C6

InChI

InChI= 1S/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38( 60-61(58-24-12-23-46)52(28(3)4)29(5) 6)35(59-42)25-57-44(30-13-10-9-11- 14-30,31-15-19-33(55-7)20-16-31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26- 29,35-36,38,42H,12, 24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1 /s1

Kī InChI

KJFUMXZZVYMQEU-AOCJBPQJSA-N

1 Ētahi atu Ingoa mō tēnei matū

Guanosine, 5′-O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ -fluoro-N-(2-methyl-1-oxopropyl)-, 3′ - [2-cyanoethyl bis(1-methyl ethyl)phosphoramidi] (9CI)

Nga Taonga Matapae

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

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 298 pH 1;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 6350 pH 2;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 57800 pH 3;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.76 x 105 pH 4;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2.21 x 105 pH 5;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2.26 x 105 pH 6;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2.24 x 105 pH 7;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 2.03 x 105 pH 8;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.04 x 105 pH 9;Te Mahana: 25 °C (1) ACD
Tauwehe Bioconcentration 19300 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 312 pH 1;Temp: 25 °C (1) ACD
Koc 6630 pH 2;Temp: 25 °C (1) ACD
Koc 60400 pH 3;Temp: 25 °C (1) ACD
Koc 1.84 x 105 pH 4;Temp: 25 °C (1) ACD
Koc 2.31 x 105 pH 5;Temp: 25 °C (1) ACD
Koc 2.37 x 105 pH 6;Temp: 25 °C (1) ACD
Koc 2.35 x 105 pH 7;Temp: 25 °C (1) ACD
Koc 2.12 x 105 pH 8;Temp: 25 °C (1) ACD
Koc 1.08 x 105 pH 9;Temp: 25 °C (1) ACD
Koc 20200 pH 10;Temp: 25 °C (1) ACD
rangitakiD 4.47 pH 1;Temp: 25 °C (1) ACD
logD 5.80 pH 2;Temp: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
rangitakiD 6.76 pH 3;Te Mahana: 25 °C (1) ACD
rangitakiD 7.24 pH 4;Te Mahana: 25 °C (1) ACD
rangitakiD 7.34 pH 5;Te Mahana: 25 °C (1) ACD
rangitakiD 7.35 pH 6;Te Mahana: 25 °C (1) ACD
rangitakiD 7.35 pH 7;Te Mahana: 25 °C (1) ACD
rangitakiD 7.30 pH 8;Te Mahana: 25 °C (1) ACD
rangitakiD 7.01 pH 9;Te Mahana: 25 °C (1) ACD
rangitakiD 6.28 pH 10;Te Mahana: 25 °C (1) ACD
rangitakiP 7.351±0.713 Te Mahana: 25 °C (1) ACD
Te Wairewa o roto 3.0 x 10-5 g/L Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 0.022 g/L pH 1;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.0 x 10-3 g/L pH 2;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 1.2 x 10-4 g/L pH 3;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.9 x 10-5 g/L pH 4;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.1 x 10-5 g/L pH 5;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.0 x 10-5 g/L pH 6;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.0 x 10-5 g/L pH 7;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.3 x 10-5 g/L pH 8;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 6.5 x 10-5 g/L pH 9;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.5 x 10-4 g/L pH 10;Te Mahana: 25 °C (1) ACD
Wairewa Papatipu 3.0 x 10-5 g/L Te Wai Whakakore pH 7.00;Te Mahana: 25 °C (1) ACD
Molar Intrinsic Solubility 3.5 x 10-8 mol/L Te Mahana: 25 °C (1) ACD
Molar Solubility 2.6 x 10-5 mol/L pH 1;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.2 x 10-6 mol/L pH 2;Te Mahana: 25 °C (1) ACD
Molar Solubility 1.4 x 10-7 mol/L pH 3;Te Mahana: 25 °C (1) ACD
Molar Solubility 4.5 x 10-8 mol/L pH 4;Te Mahana: 25 °C (1) ACD
Molar Solubility 3.6 x 10-8 mol/L pH 5;Te Mahana: 25 °C (1) ACD
Molar Solubility 3.5 x 10-8 mol/L pH 6;Te Mahana: 25 °C (1) ACD
Molar Solubility 3.5 x 10-8 mol/L pH 7;Te Mahana: 25 °C (1) ACD
Molar Solubility 3.9 x 10-8 mol/L pH 8;Te Mahana: 25 °C (1) ACD
Molar Solubility 7.6 x 10-8 mol/L pH 9;Te Mahana: 25 °C (1) ACD
Molar Solubility 4.1 x 10-7 mol/L pH 10;Te Mahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Molar Solubility 3.5 x 10-8 mol/L Te Wai Whakakore pH 7.00;Te Mahana: 25 °C (1) ACD
Taumaha Molecular 857.91    
pKa 9.16±0.20 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)

Hanganga e Pa ana

Taonga Uara Puna Tikanga
Rohe Mata Polar 184 A2 (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 18   (1) ACD
H Nga Kaiwhiwhi 15   (1) ACD
H Nga Kaituku 2   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 17   (1) ACD
rangitakiP 7.351±0.713 Te Mahana: 25 °C (1) ACD
Taumaha Molecular 857.91    

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


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