![C40H49N4O9P Uridin, 5' -O- [bis(4-methoxyphenyl)fenilmetil]-2' -O-metil-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridin, 5′ -O- [bis(4-methoxyphenyl)fenilmetil]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI) Imej Pilihan](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridin, 5' -O- [bis(4-methoxyphenyl)fenilmetil]-2' -O-metil-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)
Nombor Pendaftaran CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Sifat Fizikal Utama | Nilai | keadaan | |
| Berat Molekul | 760.81 | - | |
| pKa (Diramalkan) | 9.39±0.10 | Suhu Paling Berasid: 25 °C |
SENYUM Canonical
N#CCCOP(OC1C(OC(N2C=CC(=O)NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C( OC)C=C5)N(C(C)C)C(C)C
SENYUMAN Isomerik
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@ H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC) C=C4)C5=CC=CC =C5
InChI
InChI= 1S/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7) 43-24-22-35(45)42-39(43)46)26-50-40(29-1 2-9-8-10-13-29,30-14-18-32(47-5) )19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,36-38H,11,25-26H2 ,1-7H3,
(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1
Kunci InChI
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Nama Lain untuk Bahan ini
Uridin, 5′ -O- [bis(4-methoxyphenyl)fenilmetil]-2′ -O-metil-, 3′ - [2-sianoetil bis(1-metiletil)fosforamidit] (9CI)
Spectra tersedia
Mass
Hartanah tersedia
Biologi
kimia
Lipinski
Berkaitan Struktur
| Harta benda | Nilai | keadaan | Sumber |
| Faktor Biopekatan | 254 | pH 1;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 2050 | pH 2;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 15400 | pH 3;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 46000 | pH 4;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 57500 | pH 5;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 58900 | pH 6;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 58900 | pH 7;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 56800 | pH 8;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 42300 | pH 9;Suhu: 25 °C | (1) ACD |
| Faktor Biopekatan | 12200 | pH 10;Suhu: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | keadaan | Sumber |
| Koc | 389 | pH 1;Suhu: 25 °C | (1) ACD |
| Koc | 3140 | pH 2;Suhu: 25 °C | (1) ACD |
| Koc | 23600 | pH 3;Suhu: 25 °C | (1) ACD |
| Koc | 70500 | pH 4;Suhu: 25 °C | (1) ACD |
| Koc | 88100 | pH 5;Suhu: 25 °C | (1) ACD |
| Koc | 90300 | pH 6;Suhu: 25 °C | (1) ACD |
| Koc | 90200 | pH 7;Suhu: 25 °C | (1) ACD |
| Koc | 87100 | pH 8;Suhu: 25 °C | (1) ACD |
| Koc | 64800 | pH 9;Suhu: 25 °C | (1) ACD |
| Koc | 18700 | pH 10;Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| logD | 4.21 | pH 1;Suhu: 25 °C | (1) ACD |
| logD | 5.12 | pH 2;Suhu: 25 °C | (1) ACD |
| logD | 6.00 | pH 3;Suhu: 25 °C | (1) ACD |
| logD | 6.47 | pH 4;Suhu: 25 °C | (1) ACD |
| logD | 6.57 | pH 5;Suhu: 25 °C | (1) ACD |
| logD | 6.58 | pH 6;Suhu: 25 °C | (1) ACD |
| logD | 6.58 | pH 7;Suhu: 25 °C | (1) ACD |
| logD | 6.56 | pH 8;Suhu: 25 °C | (1) ACD |
| logD | 6.44 | pH 9;Suhu: 25 °C | (1) ACD |
| logD | 5.90 | pH 10;Suhu: 25 °C | (1) ACD |
| logP | 6.581±0.646 | Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Jisim | 8.4 x 10-5 g/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 0.019 g/L | pH 1;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 2.4 x 10-3 g/L | pH 2;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 3.1 x 10-4 g/L | pH 3;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.1 x 10-4 g/L | pH 4;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 8.4 x 10-5 g/L | pH 5;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 8.4 x 10-5 g/L | pH 6;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 8.4 x 10-5 g/L | pH 7;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 8.4 x 10-5 g/L | pH 8;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 1.1 x 10-4 g/L | pH 9;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 4.0 x 10-4 g/L | pH 10;Suhu: 25 °C | (1) ACD |
| Keterlarutan Jisim | 8.4 x 10-5 g/L | Air Tidak Penampan pH 7.00;Suhu: 25 °C | (1) ACD |
| Keterlarutan Intrinsik Molar | 1.1 x 10-7 mol/L | Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 2.5 x 10-5 mol/L | pH 1;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 3.1 x 10-6 mol/L | pH 2;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 4.1 x 10-7 mol/L | pH 3;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.4 x 10-7 mol/L | pH 4;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.1 x 10-7 mol/L | pH 5;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.1 x 10-7 mol/L | pH 6;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.1 x 10-7 mol/L | pH 7;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.1 x 10-7 mol/L | pH 8;Suhu: 25 °C | (1) ACD |
| Harta benda | Nilai | keadaan | Sumber |
| Keterlarutan Molar | 1.5 x 10-7 mol/L | pH 9;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 5.2 x 10-7 mol/L | pH 10;Suhu: 25 °C | (1) ACD |
| Keterlarutan Molar | 1.1 x 10-7 mol/L | Air Tidak Penampan pH 7.00;Suhu: 25 °C | (1) ACD |
| Berat Molekul | 760.81 | ||
| pKa | 9.39±0.10 | Suhu Paling Berasid: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Suhu Paling Asas: 25 °C | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | keadaan | Sumber |
| Bon Boleh Putar Bebas | 18 | (1) ACD | |
| H Penerima | 13 | (1) ACD | |
| H Penderma | 1 | (1) ACD | |
| H Jumlah Penderma/Penerima | 14 | (1) ACD | |
| logP | 6.581±0.646 | Suhu: 25 °C | (1) ACD |
| Berat Molekul | 760.81 |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta benda | Nilai | Sumber Keadaan |
| Kawasan Permukaan Kutub | 155 A2 | (1) ACD |
(1) Dikira menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra tersedia
1 H NMR
13 C NMR
| Kod | Kenyataan Bahaya | Sumber |
| H335 | Boleh menyebabkan kerengsaan pernafasan | Diurus Pakar |
| H331 | Toksik jika terhidu | Diurus Pakar |
| H319 | Menyebabkan kerengsaan mata yang serius | Diurus Pakar |
| H315 | Menyebabkan kerengsaan kulit | Diurus Pakar |
| Kod | Kenyataan Bahaya | Sumber |
| H311 | Toksik jika bersentuhan dengan kulit | Diurus Pakar |
| H301+H311+H331 | Toksik jika tertelan, bersentuhan dengan kulit atau terhidu | Diurus Pakar |
| H301 | Toksik jika tertelan | Diurus Pakar |
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