C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)

hua

C45H56N7O9P Guanosine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl- N-(2-methyl-1-oxopropyl)-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Taipitopito Matū

Tau Rehita CAS

150780-67-9

H303

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha Molecular 869.94 -
pKa (I Matapaetia) 9.16±0.20 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

N#CCCOP(OC1C(OC(N2C= NC=3C(=O))N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6)N(C(C)C)C(C)C

NGĀ ATA ISOMER

C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[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/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38(61-62(59-25-13-24-

46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-1 6-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/ m1/s1

Kī InChI

IRRDHRZUOZNWDJ-MLLDKZSOSA-N

1 Ētahi atu Ingoa mō tēnei matū

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

Spectra Whakamatau

Kei te waatea te Spectra
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 183 pH 1; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 3890 pH 2; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 35500 pH 3; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.08 x 105 pH 4; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.36 x 105 pH 5; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.39 x 105 pH 6; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.38 x 105 pH 7; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.24 x 105 pH 8; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 63600 pH 9; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 11900 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 220 pH 1; Te Mamahana: 25 °C (1) ACD
Koc 4680 pH 2; Te Mamahana: 25 °C (1) ACD
Koc 42600 pH 3; Te Mamahana: 25 °C (1) ACD
Koc 1.30 x 105 pH 4; Te Mamahana: 25 °C (1) ACD
Koc 1.63 x 105 pH 5; Te Mamahana: 25 °C (1) ACD
Koc 1.67 x 105 pH 6; Te Mamahana: 25 °C (1) ACD
Koc 1.65 x 105 pH 7; Te Mamahana: 25 °C (1) ACD
Koc 1.49 x 105 pH 8; Te Mamahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Koc 76400 pH 9; Te Mamahana: 25 °C (1) ACD
Koc 14200 pH 10; Te Mamahana: 25 °C (1) ACD
rangitakiD 4.19 pH 1; Te Mamahana: 25 °C (1) ACD
rangitakiD 5.52 pH 2; Te Mamahana: 25 °C (1) ACD
rangitakiD 6.48 pH 3; Te Mamahana: 25 °C (1) ACD
rangitakiD 6.96 pH 4; Te Mamahana: 25 °C (1) ACD
rangitakiD 7.06 pH 5; Te Mamahana: 25 °C (1) ACD
rangitakiD 7.07 pH 6; Te Mamahana: 25 °C (1) ACD
rangitakiD 7.07 pH 7; Te Mamahana: 25 °C (1) ACD
rangitakiD 7.02 pH 8; Te Mamahana: 25 °C (1) ACD
rangitakiD 6.73 pH 9; Te Mamahana: 25 °C (1) ACD
rangitakiD 6.00 pH 10; Te Mamahana: 25 °C (1) ACD
rangitakiP 7.072±0.721 Te Mamahana: 25 °C (1) ACD
Te Wairewa o roto 1.2 x 10-4 g/L Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.096 g/L pH 1; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.3 x 10-3 g/L pH 2; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.8 x 10-4 g/L pH 3; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 1.6 x 10-4 g/L pH 4; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 1.2 x 10-4 g/L pH 5; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 1.2 x 10-4 g/L pH 6; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 1.2 x 10-4 g/L pH 7; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 1.4 x 10-4 g/L pH 8; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 2.7 x 10-4 g/L pH 9; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 1.4 x 10-3 g/L pH 10; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 1.2 x 10-4 g/L Te Wai Whakakore pH 7.00; Te Mamahana: 25 °C (1) ACD
Molar Intrinsic Solubility 1.4 x 10-7 mol/L Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.1 x 10-4 mol/L pH 1; Te Mamahana: 25 °C (1) ACD
Molar Solubility 5.0 x 10-6 mol/L pH 2; Te Mamahana: 25 °C (1) ACD
Molar Solubility 5.5 x 10-7 mol/L pH 3; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.8 x 10-7 mol/L pH 4; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.4 x 10-7 mol/L pH 5; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.4 x 10-7 mol/L pH 6; Te Mamahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Molar Solubility 1.4 x 10-7 mol/L pH 7; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.6 x 10-7 mol/L pH 8; Te Mamahana: 25 °C (1) ACD
Molar Solubility 3.1 x 10-7 mol/L pH 9; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.6 x 10-6 mol/L pH 10; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.4 x 10-7 mol/L Te Wai Whakakore pH 7.00; Te Mamahana: 25 °C (1) ACD
Taumaha Molecular 869.94    
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)

Lipinski

Taonga Uara Tikanga Puna
Nga here e taea te huri noa 19   (1) ACD
H Nga Kaiwhiwhi 16   (1) ACD
H Nga Kaituku 2   (1) ACD
H Kaikoha/Kaiwhina moni 18   (1) ACD
rangitakiP 7.072±0.721 Te Mamahana: 25 °C (1) ACD
Taumaha Molecular 869.94    

(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 194 A2 (1) ACD

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

Matapaea Spectra

Kei te waatea te Spectra
1 H NMR
13 C NMR

Nga korero morearea a GHS

Waehere Tauākī mōrearea Puna
H303 Ka kino pea ki te horomia Tohunga Manaaki

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