![C40H49N4O9P Uridin, 5′ -O- [bis(4-metoksifenil)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 Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridin, 5′ -O- [bis(4-metoksifenil)fenilmetil]-2′ -O-metil-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)
Nomer Registry CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Properti Fisik Kunci | Nilai | kahanan | |
| Bobot Molekul | 760.81 | - | |
| pKa (Prediksi) | 9.39±0.10 | Suhu Paling Asam: 25 °C |
SMILES kanonik
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
Isomerik SMILES
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)C=C3)(C4) C=C4)C5=CC=CC=C5
IngChI
IngChI= 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)42-35(45)42-69 2-9-8-10-13-29,30-14-18-32(47-5)19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,27-28,34,27-28,34,36-38,34,36-38
(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1
Kunci Inchi
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Jeneng Liyane kanggo Zat iki
Uridine, 5'-O- [bis(4-metoksifenil)fenilmetil]-2′-O-metil-, 3′ - [2-sianoetil bis(1-metil)fosforamidit] (9CI)
Spectra kasedhiya
Massa
Properti kasedhiya
biologi
Kimia
Lipinski
Struktur Gegandhengan
| Properti | Nilai | kahanan | Sumber |
| Faktor biokonsentrasi | 254 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 2050 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 15400 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 46000 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 57500 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 58900 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 58900 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 56800 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 42300 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor biokonsentrasi | 12200 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | kahanan | 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 |
| Properti | Nilai | kahanan | 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 |
| Kelarutan Intrinsik Massa | 8,4 x 10-5 g/L | Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 0,019 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 2,4 x 10-3 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 3,1 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,1 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 8,4 x 10-5 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 8,4 x 10-5 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 8,4 x 10-5 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 8,4 x 10-5 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 1,1 x 10-4 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 4,0 x 10-4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan massa | 8,4 x 10-5 g/L | Banyu Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Kelarutan Intrinsik Molar | 1,1 x 10-7 mol / L | Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 2,5 x 10-5 mol / L | pH 1; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 3,1 x 10-6 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 4,1 x 10-7 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,4 x 10-7 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,1 x 10-7 mol / L | pH 5; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,1 x 10-7 mol / L | pH 6; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,1 x 10-7 mol / L | pH 7; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,1 x 10-7 mol / L | pH 8; Suhu: 25 °C | (1) ACD |
| Properti | Nilai | kahanan | Sumber |
| Kelarutan molar | 1,5 x 10-7 mol / L | pH 9; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 5,2 x 10-7 mol/L | pH 10; Suhu: 25 °C | (1) ACD |
| Kelarutan molar | 1,1 x 10-7 mol / L | Banyu Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 760.81 | ||
| pKa | 9.39±0.10 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3.45±0.70 | Suhu Paling Dasar: 25 °C | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | kahanan | Sumber |
| Obligasi sing bisa diputer kanthi bebas | 18 | (1) ACD | |
| H. Akseptor | 13 | (1) ACD | |
| H. Donor | 1 | (1) ACD | |
| H Jumlah Donor / Akseptor | 14 | (1) ACD | |
| logP | 6,581±0,646 | Suhu: 25 °C | (1) ACD |
| Bobot Molekul | 760.81 |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Properti | Nilai | Sumber Kondisi |
| Area lumahing kutub | 155 A2 | (1) ACD |
(1) Dietung nggunakake Piranti Lunak Pengembangan Kimia Lanjut (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra kasedhiya
1 H NMR
13 C NMR
| Kode | Pranyatan Bebaya | Sumber |
| H335 | Bisa nyebabake gangguan ambegan | Expert Curated |
| H331 | Beracun yen dihirup | Expert Curated |
| H319 | Nimbulake iritasi mata sing serius | Expert Curated |
| H315 | Nimbulake iritasi kulit | Expert Curated |
| Kode | Pranyatan Bebaya | Sumber |
| H311 | Beracun ing kontak karo kulit | Expert Curated |
| H301+H311+H331 | Beracun yen ditelan, kena kulit utawa dihirup | Expert Curated |
| H301 | Beracun yen ditelan | Expert Curated |
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