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C53H66n7O8PSI Cas No.: 104992-55-4 adenosine, N-Benzoyl-5 '-O- [bis (4-methoxyphenyl) -2'-O- [(1,1-dimethyletyl) metiletil) phosphoramidite] (ACI)

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C53H66n7O8PSI Cas No.: 104992-55-4 adenosine, N-Benzoyl-5 '-O- [bis (4-methoxyphenyl) -2'-O- [(1,1-dimethyletyl) methylethyl) phosphoramidite] (ACI) gambar yang dipaparkan
  • C53H66n7O8PSI Cas No.: 104992-55-4 adenosine, N-Benzoyl-5 '-O- [bis (4-methoxyphenyl) -2'-O- [(1,1-dimethyletyl) metiletil) phosphoramidite] (ACI)

C53H66n7O8PSI Cas No.: 104992-55-4 adenosine, N-Benzoyl-5 '-O- [bis (4-methoxyphenyl) -2'-O- [(1,1-dimethyletyl) metiletil) phosphoramidite] (ACI)

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Perincian bahan

Nombor pendaftaran CAS

104992-55-4

Sifat fizikal utama Nilai Keadaan
Berat molekul 988.19 -
PKA (diramalkan) 7.87 ± 0.43 Tempatan yang paling berasid: 25 ° C

Nama dan pengenal lain

Senyuman kanonik

N#CCCOP (OC1C (OC (N2C = NC = 3C (= NC = NC32) NC (= O) C = 4C = CC = CC4) C1O [SI] (C) (C) C) (C) C) Cc = c (oc) c = c7) n (c (c) c) c (c) c

Tersenyum isomerik

C (OC [c @@ h] 1 [c @@ h] (op (n (c) c) c (c) c) occc#n) [c @@ h] (o [Si] (c (c) (c) c) (c) c) [c @@ h] N = cn3) (c5 = cc = c (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = cc = cc = c7

Inchi

Inchi = 1S/c53H66no8PI/C1-36 (2) 60 (37 (37) ) 41-25-29-43 (63-9) 30-26-41) 66-51 (47 (46) 68-70 (10,11) 52 (5,6) 7) 59-35-57-45-48 (55-34-56-49) 2-17,19-30,34-37,44,46-47,51H, 18,32-33H2,1-11H3, (H, 55,56,58,61)/T44-, 46-, 47-, 51-, 69?/M1/S1

Kunci Inchi

Ffxhncnnhasxct-rfmfgjhusa-n

1 nama lain untuk bahan ini

Adenosin,N-benzoyl -5 ' -O-[bis (4-methoxyphenyl) phenylmethyl] -2 '-O- [1,1-dimetiletil) dimetilsilyl]-, 3 '- [2-cyanoethyl bis (1- methylethyl) phosphoramidite] (9CI)

Spektrum eksperimen

Spektrum tersedia
Massa

Sifat yang diramalkan

Hartanah tersedia
Biologi
Kimia
Lipinski
Struktur berkaitan

Biologi

Harta Nilai Keadaan Sumber
Faktor Biokonsentrasi 5.50 x 105 pH 1; Temp: 25 ° C. (1) ACD
Faktor Biokonsentrasi 1.00 x 106 pH 2; Temp: 25 ° C. (1) ACD
Faktor Biokonsentrasi 1.00 x 106 pH 3; Temp: 25 ° C. (1) ACD
Faktor Biokonsentrasi 1.00 x 106 pH 4; Temp: 25 ° C. (1) ACD
Faktor Biokonsentrasi 1.00 x 106 pH 5; Temp: 25 ° C. (1) ACD
Faktor Biokonsentrasi 1.00 x 106 pH 6; Temp: 25 ° C. (1) ACD
Faktor Biokonsentrasi 1.00 x 106 pH 7; Temp: 25 ° C. (1) ACD
Faktor Biokonsentrasi 1.00 x 106 pH 8; Temp: 25 ° C. (1) ACD
Faktor Biokonsentrasi 1.00 x 106 pH 9; Temp: 25 ° C. (1) ACD
Faktor Biokonsentrasi 1.00 x 106 pH 10; Temp: 25 ° C. (1) ACD

(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Kimia

Harta Nilai Keadaan Sumber
KOC 61500 pH 1; Temp: 25 ° C. (1) ACD
KOC 1.64 x 106 pH 2; Temp: 25 ° C. (1) ACD
KOC 1.00 x 107 pH 3; Temp: 25 ° C. (1) ACD
KOC 1.00 x 107 pH 4; Temp: 25 ° C. (1) ACD
KOC 1.00 x 107 pH 5; Temp: 25 ° C. (1) ACD
KOC 1.00 x 107 pH 6; Temp: 25 ° C. (1) ACD
KOC 1.00 x 107 pH 7; Temp: 25 ° C. (1) ACD
KOC 1.00 x 107 pH 8; Temp: 25 ° C. (1) ACD
KOC 3.20 x 106 pH 9; Temp: 25 ° C. (1) ACD

 

Harta Nilai Keadaan Sumber
KOC 9.24 x 105 pH 10; Temp: 25 ° C. (1) ACD
logd 8.81 pH 1; Temp: 25 ° C. (1) ACD
logd 10.24 pH 2; Temp: 25 ° C. (1) ACD
logd 11.24 pH 3; Temp: 25 ° C. (1) ACD
logd 11.73 pH 4; Temp: 25 ° C. (1) ACD
logd 11.83 pH 5; Temp: 25 ° C. (1) ACD
logd 11.83 pH 6; Temp: 25 ° C. (1) ACD
logd 11.75 pH 7; Temp: 25 ° C. (1) ACD
logd 11.31 pH 8; Temp: 25 ° C. (1) ACD
logd 10.53 pH 9; Temp: 25 ° C. (1) ACD
logd 9.99 pH 10; Temp: 25 ° C. (1) ACD
logp 11.845 ± 0.715 Temp: 25 ° C. (1) ACD
Kelarutan intrinsik massa 1.2 x 10-5 g/l Temp: 25 ° C. (1) ACD
Kelarutan Massa 3.5 x 10-3 g/l pH 1; Temp: 25 ° C. (1) ACD
Kelarutan Massa 1.1 x 10-4 g/l pH 2; Temp: 25 ° C. (1) ACD
Kelarutan Massa 9.9 x 10-6 g/l pH 3; Temp: 25 ° C. (1) ACD
Kelarutan Massa 3.4 x 10-6 g/l pH 4; Temp: 25 ° C. (1) ACD
Kelarutan Massa 2.7 x 10-6 g/l pH 5; Temp: 25 ° C. (1) ACD
Kelarutan Massa 2.7 x 10-6 g/l pH 6; Temp: 25 ° C. (1) ACD
Kelarutan Massa 3.2 x 10-6 g/l pH 7; Temp: 25 ° C. (1) ACD
Kelarutan Massa 8.9 x 10-6 g/l pH 8; Temp: 25 ° C. (1) ACD
Kelarutan Massa 6.3 x 10-5 g/l pH 9; Temp: 25 ° C. (1) ACD
Kelarutan Massa 4.2 x 10-4 g/l pH 10; Temp: 25 ° C. (1) ACD
Kelarutan Massa 3.2 x 10-6 g/l Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. (1) ACD
Kelarutan intrinsik molar 1.2 x 10-8 mol/l Temp: 25 ° C. (1) ACD
Kelarutan molar 3.5 x 10-6 mol/l pH 1; Temp: 25 ° C. (1) ACD
Kelarutan molar 1.1 x 10-7 mol/l pH 2; Temp: 25 ° C. (1) ACD
Kelarutan molar 1.0 x 10-8 mol/l pH 3; Temp: 25 ° C. (1) ACD
Kelarutan molar 3.4 x 10-9 mol/l pH 4; Temp: 25 ° C. (1) ACD
Kelarutan molar 2.7 x 10-9 mol/l pH 5; Temp: 25 ° C. (1) ACD
Kelarutan molar 2.7 x 10-9 mol/l pH 6; Temp: 25 ° C. (1) ACD
Kelarutan molar 3.2 x 10-9 mol/l pH 7; Temp: 25 ° C. (1) ACD

 

Harta Nilai Keadaan Sumber
Kelarutan molar 9.0 x 10-9 mol/l pH 8; Temp: 25 ° C. (1) ACD
Kelarutan molar 6.4 x 10-8 mol/l pH 9; Temp: 25 ° C. (1) ACD
Kelarutan molar 4.2 x 10-7 mol/l pH 10; Temp: 25 ° C. (1) ACD
Kelarutan molar 3.2 x 10-9 mol/l Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. (1) ACD
Berat molekul 988.19
PKA 7.87 ± 0.43 Tempatan yang paling berasid: 25 ° C (1) ACD
PKA 3.45 ± 0.70 Tempatan paling asas: 25 ° C (1) ACD

(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Harta Nilai Keadaan Sumber
Ikatan bebas berputar 21   (1) ACD
H penerima 15   (1) ACD
H penderma 1   (1) ACD
H penderma/penerima jumlah 16   (1) ACD
logp 11.845 ± 0.715 Temp: 25 ° C. (1) ACD
Berat molekul 988.19    

Dikira menggunakan

Harta Nilai Sumber keadaan
Kawasan permukaan kutub 178 a2 (1) ACD

Struktur berkaitan

(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)

Spektrum yang diramalkan

Spektrum tersedia
1 h nmr
13 C NMR

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