C43H55N4O10P uridine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -O- (2-methox yethyl)-5-metil-, 3 ′-[2-cyanoethyl N, N-BIS (1-methylethyl) amidite (2-cyanoethyl N, N-BIS (1-methylethyl) amidite (2-cyanoethyl) (1-methylethyl) amidite (2-cyanoethyl) (1-Methylethyl) (2-cyanoethyl] (1-BIS (1-methylethyl) (2-cyanoethyl] (1-BIS) (1-methylethyl) (2-cyanoethyl] (1-BIS (1-methylethyl) (2-cyanoethyl] (1-Methylethyl) (

produk

C43H55N4O10P uridine, 5 ′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -O- (2-methox yethyl)-5-metil-, 3 ′-[2-cyanoethyl N, N-BIS (1-methylethyl) amidite (2-cyanoethyl N, N-BIS (1-methylethyl) amidite (2-cyanoethyl) (1-methylethyl) amidite (2-cyanoethyl) (1-Methylethyl) (2-cyanoethyl] (1-BIS (1-methylethyl) (2-cyanoethyl] (1-BIS) (1-methylethyl) (2-cyanoethyl] (1-BIS (1-methylethyl) (2-cyanoethyl] (1-Methylethyl) (

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Detail Produk

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Detail Substansi

Nomor Registri CAS

163878-63-5

H302

Sifat fisik utama Nilai Kondisi
Berat molekul 818.89 -
pKa (diprediksi) 9,55 ± 0,10 Sebagian besar suhu asam: 25 ° C

Nama dan pengenal lainnya

Senyum kanonik

N#CCCOP (OC1C (OC (N2C = C (C (= O) NC2 = O) C) C1OCCOC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C (C) C) C) C

Senyum isomer

C (OC [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (occoc) [c @@ h] (o1) n2c (= o) nc (= o) c (c) = c2) (c3 = cc = c = c = c = c3) = C (OC) C = C4) C5 = CC = CC = C5

Inci

InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25-50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43 (32-13-10-9-11-14-32,33-15-19-35 (51-7) 20-16-33) 34-17-21-36 (52-8) 22-18-34/H9-11,13-22,27,29-30,37-37-39,41H2,28H2,29,29-30,37-37-39,41H2,28H2,29,29,37-37-39,48H2,28 1-8H3, (H, 45,48,49)/T37-, 38-, 39-, 41-, 58?/M1/S1

Kunci Inchi

Yfrrkzdudxhjnc-kzqaakllsa-n

17 nama lain untuk zat ini

Uridine, 5 ′ -O-[BIS (4-methoxyphenyl) phenylmethyl] -2 ′-O-(2-metoksietil)-5-metil-, 3 ′-[2-cyanoethyl bis (1-methylethyl) Fosfor

amidite] (9ci); 10: PN: US20030212017 Halaman: 18 diklaim RNA; 11: PN: US20030211606 Halaman: 18 diklaim RNA; 13: PN: US20040

005569 Halaman: 21 mengklaim RNA; 13: PN: US20040006030 Halaman: 22 diklaim RNA; 13: PN: US20040014048 Halaman: 19 diklaim RNA; 13: PN: US20040014049 Halaman: 19 diklaim RNA; 14: PN: US20030198965 Halaman: 19 diklaim RNA; 14: PN: US20040005565 Halaman: 17-2 22 Diklaim RNA; 14: PN: US20040005570 Halaman: 19 diklaim RNA; 14: PN: US20040014047 Halaman: 19 diklaim RNA; 14: PN: US20040

014699 Halaman: 19 diklaim RNA; 15: PN: US20040014050 Halaman: 19 diklaim RNA; 15: PN: US20040014051 Halaman: 21 diklaim RNA; 15:

PN: WO03106645 Halaman: 69 diklaim RNA; 16: PN: US20040006029 Halaman: 22 diklaim RNA; 87: PN: US20040005707 Halaman: 19 Klaim RNA

Spektrum eksperimental

Spektrum tersedia
1 h nmr
13 C NMR
Hetero NMR

Prediksi Properties

Properti tersedia
Biologis
Kimia
Lipinski
Terkait struktur

Biologis

Milik Nilai Kondisi Sumber
Faktor biokonsentrasi 348 pH 1; Temp: 25 ° C. (1) ACD
Faktor biokonsentrasi 2810 pH 2; Temp: 25 ° C. (1) ACD
Faktor biokonsentrasi 21100 pH 3; Temp: 25 ° C. (1) ACD
Faktor biokonsentrasi 63100 pH 4; Temp: 25 ° C. (1) ACD
Faktor biokonsentrasi 78800 pH 5; Temp: 25 ° C. (1) ACD
Faktor biokonsentrasi 80800 pH 6; Temp: 25 ° C. (1) ACD
Faktor biokonsentrasi 80800 pH 7; Temp: 25 ° C. (1) ACD
Faktor biokonsentrasi 78800 pH 8; Temp: 25 ° C. (1) ACD
Faktor biokonsentrasi 63400 pH 9; Temp: 25 ° C. (1) ACD
Faktor biokonsentrasi 21800 pH 10; Temp: 25 ° C. (1) ACD

(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Kimia

Milik Nilai Kondisi Sumber
Koc 487 pH 1; Temp: 25 ° C. (1) ACD
Koc 3940 pH 2; Temp: 25 ° C. (1) ACD
Koc 29600 pH 3; Temp: 25 ° C. (1) ACD
Koc 88400 pH 4; Temp: 25 ° C. (1) ACD

 

Milik Nilai Kondisi Sumber
Koc 1.10 x 105 pH 5; Temp: 25 ° C. (1) ACD
Koc 1.13 x 105 pH 6; Temp: 25 ° C. (1) ACD
Koc 1.13 x 105 pH 7; Temp: 25 ° C. (1) ACD
Koc 1.10 x 105 pH 8; Temp: 25 ° C. (1) ACD
Koc 88800 pH 9; Temp: 25 ° C. (1) ACD
Koc 30600 pH 10; Temp: 25 ° C. (1) ACD
logd 4.39 pH 1; Temp: 25 ° C. (1) ACD
logd 5.30 pH 2; Temp: 25 ° C. (1) ACD
logd 6.18 pH 3; Temp: 25 ° C. (1) ACD
logd 6.65 pH 4; Temp: 25 ° C. (1) ACD
logd 6.75 pH 5; Temp: 25 ° C. (1) ACD
logd 6.76 pH 6; Temp: 25 ° C. (1) ACD
logd 6.76 pH 7; Temp: 25 ° C. (1) ACD
logd 6.75 pH 8; Temp: 25 ° C. (1) ACD
logd 6.65 pH 9; Temp: 25 ° C. (1) ACD
logd 6.19 pH 10; Temp: 25 ° C. (1) ACD
logp 6.761 ± 0,669 Temp: 25 ° C. (1) ACD
Kelarutan intrinsik massa 2.0 x 10-4 g/l Temp: 25 ° C. (1) ACD
Kelarutan massal 0,046 g/l pH 1; Temp: 25 ° C. (1) ACD
Kelarutan massal 5.7 x 10-3 g/l pH 2; Temp: 25 ° C. (1) ACD
Kelarutan massal 7.6 x 10-4 g/l pH 3; Temp: 25 ° C. (1) ACD
Kelarutan massal 2.5 x 10-4 g/L pH 4; Temp: 25 ° C. (1) ACD
Kelarutan massal 2.0 x 10-4 g/l pH 5; Temp: 25 ° C. (1) ACD
Kelarutan massal 2.0 x 10-4 g/l pH 6; Temp: 25 ° C. (1) ACD
Kelarutan massal 2.0 x 10-4 g/l pH 7; Temp: 25 ° C. (1) ACD
Kelarutan massal 2.0 x 10-4 g/l pH 8; Temp: 25 ° C. (1) ACD
Kelarutan massal 2.5 x 10-4 g/L pH 9; Temp: 25 ° C. (1) ACD
Kelarutan massal 7.4 x 10-4 g/L pH 10; Temp: 25 ° C. (1) ACD
Kelarutan massal 2.0 x 10-4 g/l Air PH 7.00 yang tidak terikat; Temp: 25 ° C. (1) ACD
Kelarutan intrinsik molar 2.4 x 10-7 mol/L Temp: 25 ° C. (1) ACD
Kelarutan molar 5.6 x 10-5 mol/L pH 1; Temp: 25 ° C. (1) ACD
Kelarutan molar 7,0 x 10-6 mol/L pH 2; Temp: 25 ° C. (1) ACD

 

Milik Nilai Kondisi Sumber
Kelarutan molar 9.3 x 10-7 mol/L pH 3; Temp: 25 ° C. (1) ACD
Kelarutan molar 3.1 x 10-7 mol/L pH 4; Temp: 25 ° C. (1) ACD
Kelarutan molar 2,5 x 10-7 mol/L pH 5; Temp: 25 ° C. (1) ACD
Kelarutan molar 2.4 x 10-7 mol/L pH 6; Temp: 25 ° C. (1) ACD
Kelarutan molar 2.4 x 10-7 mol/L pH 7; Temp: 25 ° C. (1) ACD
Kelarutan molar 2,5 x 10-7 mol/L pH 8; Temp: 25 ° C. (1) ACD
Kelarutan molar 3.1 x 10-7 mol/L pH 9; Temp: 25 ° C. (1) ACD
Kelarutan molar 9.0 x 10-7 mol/L pH 10; Temp: 25 ° C. (1) ACD
Kelarutan molar 2.4 x 10-7 mol/L Air PH 7.00 yang tidak terikat; Temp: 25 ° C. (1) ACD
Berat molekul 818.89    
PKA 9,55 ± 0,10 Sebagian besar suhu asam: 25 ° C (1) ACD
PKA 3,45 ± 0,70 Paling Basa Temp: 25 ° C (1) ACD

(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Lipinski

Milik Nilai Kondisi Sumber
Ikatan yang dapat diputar secara bebas 21   (1) ACD
H akseptor 14   (1) ACD
H donor 1   (1) ACD
H donor/jumlah akseptor 15   (1) ACD
logp 6.761 ± 0,669 Temp: 25 ° C. (1) ACD
Berat molekul 818.89    

(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Terkait struktur

Milik Nilai Sumber Kondisi
Area Permukaan Kutub 164 A2 (1) ACD

(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)

Spectra yang diprediksi

Spektrum tersedia
1 h nmr
13 C NMR

Pernyataan Bahaya GHS

Sumber Pernyataan Bahaya Kode
H302 berbahaya jika tertelan Klasifikasi & Pelabelan Badan Kimia Eropa (ECHA)

Inventarisasi - Klasifikasi dan Pelabelan yang Diberitahu - Pemberitahuan Paling Umum, Badan Kimia Eropa (ECHA)

Inventarisasi Klasifikasi & Pelabelan - Klasifikasi dan Pelabelan yang Diberitahu - Pemberitahuan Paling Serius


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