C48h54N7PO8PPPO8P-Adenosine, N-Benzoyl-5- [I-4-Methoxyphenyl) Phenylmethyl] Phenylmethyl] Phenylmethyl] Phenylmethyl], 3-Cyanoethyl n, 0-Methyleethyl) Phosphor Amidite] (ACI)

umphumela

C48h54N7PO8PPPO8P-Adenosine, N-Benzoyl-5- [I-4-Methoxyphenyl) Phenylmethyl] Phenylmethyl] Phenylmethyl] Phenylmethyl], 3-Cyanoethyl n, 0-Methyleethyl) Phosphor Amidite] (ACI)

Imininingwane eyisisekelo:


Imininingwane Yomkhiqizo

Amathegi Omkhiqizo

Imininingwane yezidakamizwa

Inombolo yokubhalisa ye-CAS

110782-31-5

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

Izakhiwo ezisemqoka ezisemqoka Thanda Into efunekayo
Isisindo molecular 887.96 -
I-PKA (ebikezelwe) 7.87 ± 0.43 Iningi le-acid temp: 25 ° C

Amanye amagama nezikhombi

Ukumamatheka kwe-canonical

N # CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (CCC) C = C (OC) C = C (OC) C = C (C (C) n

I-Isomeric ukumamatheka

C (OC [C @@ H H] 1 [C @ c h (n h h) c) c (c @ c) [c4 (n = c2) = C4) n = c5 = cc = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7

Inchi

Inchi = 1s / c48hh54NN7O8P / C1-32 (2) 55 (31-28-14 (43 (43) 64-49) 54- 44-5 (4-40-5 (4-40 (41 (41) 54) 53-46 (5 6) 34-15-16-11-16-1-16-34) 29-60-48 (35-16-12-9-13-13-13-13-13-13-13-13-13-13-13-13-13-13-13-13, 37-5) 24-211-37) 36-21-37) 26-22-37) 26-22-37-37,15-26-31-33,15-26-3-33,15-26 2-43,47h, 14,28H2, (H, 50,51,53,56,56,56,56,56,56,56,56), 42-, 43-, 47-,, 64? / M1 / ​​S1

Ukhiye we-inchi

AzcGotuyepxhmj-Psvhyzmasa-n

Amanye amagama ama-2 kule nto

I-Adenosine,N-Benzeyl-5 '-O- [BIS (4-MethoxyphenHenyl) Phenylmethyl] -2 '-O-Methyl-, 3 '- [2-Cyanoethyl BIS (1-methylethyl) phosphoramidite] (9ci); 5 '-O- (4,4 '-DimethoXytrityl) -N6-Benzoyl-2' -O-Methyladenosine 3 '- (2-CyanoethylN,N-Diisopropylphosphosphoramidite)

Ukuhlola i-spectra

I-Spectra iyatholakala
13 c NMR
Hetero nmr
Okuninginingi

Izakhiwo Ezibikezelwe

Izakhiwo zitholakala
Bitionalogical
Okuthakiweyo
Lipinski
Isakhiwo esihlobene

Bitionalogical

Impahla Thanda Into efunekayo Umthombo
Isici se-BioConCentration 4050 ph 1; Temp: 25 ° C (1) ACD
Isici se-BioConCentration I-1.08 x 105 I-PH 2; Temp: 25 ° C (1) ACD
Isici se-BioConCentration 1.00 x 106 I-PH 3; Temp: 25 ° C (1) ACD
Isici se-BioConCentration 1.00 x 106 I-PH 4; Temp: 25 ° C (1) ACD
Isici se-BioConCentration 1.00 x 106 I-PH 5; Temp: 25 ° C (1) ACD
Isici se-BioConCentration 1.00 x 106 I-PH 6; Temp: 25 ° C (1) ACD
Isici se-BioConCentration 1.00 x 106 I-PH 7; Temp: 25 ° C (1) ACD
Isici se-BioConCentration 1.00 x 106 I-PH 8; Temp: 25 ° C (1) ACD
Isici se-BioConCentration 2.10 x 105 I-PH 9; Temp: 25 ° C (1) ACD
Isici se-BioConCentration I-60800 ph 10; Temp: 25 ° C (1) ACD

(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)

Okuthakiweyo

Impahla Thanda Into efunekayo Umthombo
Ibhola Oku-19 ph 1; Temp: 25 ° C (1) ACD
Ibhola 48700 I-PH 2; Temp: 25 ° C (1) ACD
Ibhola 4.91 x 105 I-PH 3; Temp: 25 ° C (1) ACD
Ibhola 1.52 x 106 I-PH 4; Temp: 25 ° C (1) ACD
Ibhola 1.90 x 106 I-PH 5; Temp: 25 ° C (1) ACD
Ibhola 1.91 x 106 I-PH 6; Temp: 25 ° C (1) ACD
Ibhola 1.57 x 106 I-PH 7; Temp: 25 ° C (1) ACD

 

Impahla Thanda Into efunekayo Umthombo
Ibhola 5.78 x 105 I-PH 8; Temp: 25 ° C (1) ACD
Ibhola I-95000 I-PH 9; Temp: 25 ° C (1) ACD
Ibhola 27500 ph 10; Temp: 25 ° C (1) ACD
into yokungena yogd I-6.01 ph 1; Temp: 25 ° C (1) ACD
into yokungena yogd 7.43 I-PH 2; Temp: 25 ° C (1) ACD
into yokungena yogd 8.44 I-PH 3; Temp: 25 ° C (1) ACD
into yokungena yogd 8.93 I-PH 4; Temp: 25 ° C (1) ACD
into yokungena yogd 9.02 I-PH 5; Temp: 25 ° C (1) ACD
into yokungena yogd 9.02 I-PH 6; Temp: 25 ° C (1) ACD
into yokungena yogd 8.94 I-PH 7; Temp: 25 ° C (1) ACD
into yokungena yogd 8.51 I-PH 8; Temp: 25 ° C (1) ACD
into yokungena yogd 7.72 I-PH 9; Temp: 25 ° C (1) ACD
into yokungena yogd 7.18 ph 10; Temp: 25 ° C (1) ACD
ngena ngemvume 9.038 ± 0.723 Temp: 25 ° C (1) ACD
I-SAST ENTINSIC SOLUBLIC 1.4 x 10-5 g / l Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 0.014 g / l ph 1; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 5.3 x 10-4 g / l I-PH 2; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 5.3 x 10-5 g / l I-PH 3; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 1.7 x 10-5 g / l I-PH 4; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 1.3 x 10-5 g / l I-PH 5; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 1.3 x 10-5 g / l I-PH 6; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 1.7 x 10-5 g / l I-PH 7; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 4.5 x 10-5 g / l I-PH 8; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 2.8 x 10-4 g / l I-PH 9; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 9.8 x 10-4 g / l ph 10; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 1.7 x 10-5 g / l Amanzi angaphekiwe ph 6.99; Temp: 25 ° C (1) ACD
I-molar intrinsic soubility 1.6 x 10-8 mol / l Temp: 25 ° C (1) ACD
Molar solility 1.6 x 10-5 mol / l ph 1; Temp: 25 ° C (1) ACD
Molar solility 6.0 x 10-7 mol / l I-PH 2; Temp: 25 ° C (1) ACD
Molar solility 6.0 x 10-8 mol / l I-PH 3; Temp: 25 ° C (1) ACD
Molar solility 1.9 x 10-8 mol / l I-PH 4; Temp: 25 ° C (1) ACD
Molar solility 1.5 x 10-8 mol / l I-PH 5; Temp: 25 ° C (1) ACD

 

Impahla Thanda Into efunekayo Umthombo
Molar solility 1.5 x 10-8 mol / l I-PH 6; Temp: 25 ° C (1) ACD
Molar solility 1.9 x 10-8 mol / l I-PH 7; Temp: 25 ° C (1) ACD
Molar solility 5.1 x 10-8 mol / l I-PH 8; Temp: 25 ° C (1) ACD
Molar solility 3.1 x 10-7 mol / l I-PH 9; Temp: 25 ° C (1) ACD
Molar solility 1.1 x 10-6 mol / l ph 10; Temp: 25 ° C (1) ACD
Molar solility 1.9 x 10-8 mol / l Amanzi angaphekiwe ph 6.99; Temp: 25 ° C (1) ACD
Isisindo molecular 887.96    
i-pka 7.87 ± 0.43 Iningi le-acid temp: 25 ° C (1) ACD
i-pka 3.45 ± 0.70 I-TEMP eyisisekelo Eyisisekelo: 25 ° C (1) ACD

(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)

Lipinski

Impahla Thanda Into efunekayo Umthombo
Amabhondi ajikeleze ngokukhululeka 19   (1) ACD
Akwamukela 15   (1) ACD
H 1   (1) ACD
H Donor / ukwamukela inani 16   (1) ACD
ngena ngemvume 9.038 ± 0.723 Temp: 25 ° C (1) ACD
Isisindo molecular 887.96    

(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)

Isakhiwo esihlobene

Impahla Thanda Umthombo Wesimo
Indawo yePolar Surface 178 A2 A2 (1) ACD

(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)

Ukubikezela ukubikezela

I-Spectra iyatholakala
1 h nmr
13 c NMR

Izitatimende Zobungozi BaseGhs

Ukufingqwa Isitatimende Sobungozi Umthombo
H335 Kungadala ukucasuka okuphefumula Isazi sakhula

 

Ukufingqwa Isitatimende Sobungozi Umthombo
H331 Ubuthi uma u-inhalid Isazi sakhula
H319 Kubangela ukucasuka okukhulu kwamehlo Isazi sakhula
H315 Kubangela ukucasuka kwesikhumba Isazi sakhula
H311 Ubuthi ekuxhumaneni nesikhumba Isazi sakhula
H301 + H311 + H331 I-anobuthi uma iginya, ukuxhumana nesikhumba noma i-inhalid Isazi sakhula
H301 Ubuthi uma bugwinya Isazi sakhula

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