C50H58N7O9P adenosine, N-benzoyl-5 '-O- [BIS (4-Mantexyhyl] -, 3' - [2-Cyanoethyl N, N-BIS (1-Metholyl) (ACI)

Produk

C50H58N7O9P adenosine, N-benzoyl-5 '-O- [BIS (4-Mantexyhyl] -, 3' - [2-Cyanoethyl N, N-BIS (1-Metholyl) (ACI)

Informasi dhasar:


Detail Produk

Tag Produk

Rincian bahan

Nomer Registri CAS

251647-53-7

H302

Properties fisik Key Regane Kondisi
Bobot molekuler 932.01 -
Pka (diprediksi) 7.87 ± 0.43 Temp paling asam: 25 ° C

Jeneng lan Identifikasi Liyane

Mesem kanonik

N # cccop (oc1c (oc (oc = nc = nc = 3c (= nc = nc) nc3 c7 (oc = c7 = c6 = c6) c7 = c6 = c6 = c6 = c6 = c6 = c6 = c6 = c6 = c6) C = c7) n (c (c) c) c (c) c

Mesem isomerat

C (OC [C @@@ H] 1 [C @@ H] (n (c) C4) (OCCOCT (= O) C4 = CC = C4 = C4) = Cc = c (oc) c = c5) (c6 = c6 = c4 = c = c6) c7 = c6 = c- = cc = c7

INCI

Kopi = 1s / c50h58n7o9p / c1-34 (2) 57 (35 (3448) 66-51) 667-19-23-40 (60-6) 24-20-6) 24--20-3) 9-21-25-41 (61-7) 26-22-39) 65-49 (45 (44) 62-30-29-59-59-59-59-59-59-59-59-59-5-5-5-54-467 (43) 55-48-1-16-3,1-16-3,6-16-3 32-35,42,442,442,442,442,49h, 14,28-31h2,1-7h3, (H, 52,56,55,58) / t42-, 44-, 49-, 67? / M1 / ​​s1

Kunci inci

Vpbybqbhlyrlhg-hdmawcrfsa-n

16 Jeneng liya kanggo zat iki

Adenosine,N-Benzoyl-5 '-O- [bis (4-meteixyphenht) phenylmethyl] -2 '-O- (2-METEXYETHYL) -, 3 '- [2-Cyanoethyl BIS (1-Methylethyl)

Phosphoramidite] (9CI); 16: PN: US20030211606 Kaca: 19 Urutan miturut urutan; 16: PN: US20030212017 Kaca: 20 urutan sing ngaku; 17: PN: US200400055569 Kaca: 22 Ukuran urutan; 19: PN: US20040006030 Halaman: 23 urutan ngaku; 19: PN: US20040014047

Kaca: 21 Urutan miturut urutan; 19: PN: US200400149 Kaca: 21 Urutan urutan; 20: PN: US20040005570 kaca: 20 dituntut

urutan; 20: PN: US200400140848 Kaca: 21 Urutan urutan; 20: PN: US20040014050 kaca: 20 urutan sing ngaku; 21: PN: U

S200400055565 Halaman: 17- 22 ngaku urutan; 21: PN: US200400151 Kaca: 23 urutan ngaku; 22: PN: US20040014699 Kaca: 20 urutan sing ngaku; 23: PN: US20040006029 Kaca: 23 urutan ngaku; 23: PN: WOX3106645 Halaman: 73 urutan; 94: P N: US20040005707 Halaman: 20 Urutan Nyariosaken

Spektral Eksperimen

Spektrum kasedhiya
1 h nmr
13 c nmr
Hetero nmr

Properti sing diramalake

Properties kasedhiya
Biologis
Kimia
Lipinski
Struktur sing gegandhengan

Biologis

Properti Regane Kondisi Sumber
Faktor biokentrasi 2680 PH 1; Temp: 25 ° C (1) ACD
Faktor biokentrasi 71500 PH 2; Temp: 25 ° C (1) ACD
Faktor biokentrasi 7,21 x 105 PH 3; Temp: 25 ° C (1) ACD
Faktor biokentrasi 1.00 x 106 pH 4; Temp: 25 ° C (1) ACD
Faktor biokentrasi 1.00 x 106 pH 5; Temp: 25 ° C (1) ACD
Faktor biokentrasi 1.00 x 106 pH 6; Temp: 25 ° C (1) ACD
Faktor biokentrasi 1.00 x 106 pH 7; Temp: 25 ° C (1) ACD
Faktor biokentrasi 8.48 x 105 PH 8; Temp: 25 ° C (1) ACD
Faktor biokentrasi 1.39 x 105 PH 9; Temp: 25 ° C (1) ACD
Faktor biokentrasi 40300 PH 10; Temp: 25 ° C (1) ACD

(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)

Kimia

Properti Regane Kondisi Sumber
Koc 1360 PH 1; Temp: 25 ° C (1) ACD
Koc 36300 PH 2; Temp: 25 ° C (1) ACD
Koc 3.66 x 105 PH 3; Temp: 25 ° C (1) ACD
Koc 1.13 x 106 pH 4; Temp: 25 ° C (1) ACD

 

Properti Regane Kondisi Sumber
Koc 1.42 x 106 pH 5; Temp: 25 ° C (1) ACD
Koc 1.42 x 106 pH 6; Temp: 25 ° C (1) ACD
Koc 1.17 x 106 pH 7; Temp: 25 ° C (1) ACD
Koc 4.30 x 105 PH 8; Temp: 25 ° C (1) ACD
Koc 70800 PH 9; Temp: 25 ° C (1) ACD
Koc 20500 PH 10; Temp: 25 ° C (1) ACD
logd 5.77 PH 1; Temp: 25 ° C (1) ACD
logd 7,20 PH 2; Temp: 25 ° C (1) ACD
logd 8,20 PH 3; Temp: 25 ° C (1) ACD
logd 8.69 pH 4; Temp: 25 ° C (1) ACD
logd 8.79 pH 5; Temp: 25 ° C (1) ACD
logd 8.79 pH 6; Temp: 25 ° C (1) ACD
logd 8.71 pH 7; Temp: 25 ° C (1) ACD
logd 8.27 PH 8; Temp: 25 ° C (1) ACD
logd 7.49 PH 9; Temp: 25 ° C (1) ACD
logd 6.95 PH 10; Temp: 25 ° C (1) ACD
logp 8.803 ± 0.766 Temp: 25 ° C (1) ACD
Kelarutan Kelainan Intrinsik Massa 5.4 x 10-5 g / l Temp: 25 ° C (1) ACD
Kelarutan massa 0,051 g / l PH 1; Temp: 25 ° C (1) ACD
Kelarutan massa 1.9 x 10-3 g / l PH 2; Temp: 25 ° C (1) ACD
Kelarutan massa 1.9 x 10-4 g / l PH 3; Temp: 25 ° C (1) ACD
Kelarutan massa 6.0 x 10-5 g / l pH 4; Temp: 25 ° C (1) ACD
Kelarutan massa 4.8 x 10-5 g / l pH 5; Temp: 25 ° C (1) ACD
Kelarutan massa 4.8 x 10-5 g / l pH 6; Temp: 25 ° C (1) ACD
Kelarutan massa 5.8 x 10-5 g / l pH 7; Temp: 25 ° C (1) ACD
Kelarutan massa 1.6 x 10-4 g / l PH 8; Temp: 25 ° C (1) ACD
Kelarutan massa 9.3 X 10-4 g / l PH 9; Temp: 25 ° C (1) ACD
Kelarutan massa 3.6 x 10-3 g / l PH 10; Temp: 25 ° C (1) ACD
Kelarutan massa 5.7 x 10-5 g / l Banyu banyu sing ora dibayar 6.97; Temp: 25 ° C (1) ACD
Kelarutan Kelaresan Inttrinsik Molar 5.8 x 10-8 mol / l Temp: 25 ° C (1) ACD
Kelarutan molar 5.5 x 10-5 mol / l PH 1; Temp: 25 ° C (1) ACD
Kelarutan molar 2.0 x 10-6 mol / l PH 2; Temp: 25 ° C (1) ACD

 

Properti Regane Kondisi Sumber
Kelarutan molar 2.0 x 10-7 mol / l PH 3; Temp: 25 ° C (1) ACD
Kelarutan molar 6.4 x 10-8 mol / l pH 4; Temp: 25 ° C (1) ACD
Kelarutan molar 5.1 x 10-8 mol / l pH 5; Temp: 25 ° C (1) ACD
Kelarutan molar 5.1 x 10-8 mol / l pH 6; Temp: 25 ° C (1) ACD
Kelarutan molar 6.2 x 10-8 mol / l pH 7; Temp: 25 ° C (1) ACD
Kelarutan molar 1.7 x 10-7 mol / l PH 8; Temp: 25 ° C (1) ACD
Kelarutan molar 1.0 x 10-6 mol / l PH 9; Temp: 25 ° C (1) ACD
Kelarutan molar 3.9 x 10-6 mol / l PH 10; Temp: 25 ° C (1) ACD
Kelarutan molar 6.1 x 10-8 mol / l Banyu banyu sing ora dibayar 6.97; Temp: 25 ° C (1) ACD
Bobot molekuler 932.01    
PKA 7.87 ± 0.43 Temp paling asam: 25 ° C (1) ACD
PKA 3.45 ± 070 Umume Temp: 25 ° C (1) ACD

(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)

Lipinski

Properti Regane Kondisi Sumber
Obligasi kanthi bebas 22   (1) ACD
H Nampa 16   (1) ACD
H donor 1   (1) ACD
H Donor / Sumrah Panampa 17   (1) ACD
logp 8.803 ± 0.766 Temp: 25 ° C (1) ACD
Bobot molekuler 932.01    

(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)

Struktur sing gegandhengan

Properti Regane Sumber kahanan
Area permukaan polar 187 a2 (1) ACD

(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)

Diramalake spektrasi

Spektrum kasedhiya
1 h nmr
13 c nmr

Pratelan Gahs Grazard

Sumber Statement Code Hazard
H302 mbebayani yen ditelan Badan Kimia Eropa (Procha) Klasifikasi & Labeling

Inventori - Klasifikasi Dalan lan Label - Kabar Umum Umum, Badan Kimia Eropa (ECHA)

Klasifikasi & Label Inventorial Inventori - Klasifikasi Dalan lan Label - Kabar Paling Seri serius


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