![C40H49N4O9P Uridine, 5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′ -O-methyl-, 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)phenylmethyl]-2′-O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI) Feature Image](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridine, 5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)
Nomer pendaptaran CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Sipat fisik konci | Nilai | Kaayaan | |
| Beurat Molekul | 760.81 | - | |
| pKa (diprediksi) | 9.39±0.10 | Suhu Paling Asam: 25 °C |
SMILES 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
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=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
InChI Key
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Ngaran séjén pikeun Zat ieu
Uridin, 5′-O- [bis(4-metoxyphenyl)phenylmethyl]-2′-O-metil-, 3′ - [2-sianoetil bis(1-métilétil)fosforamidit] (9CI)
Spéktra sadia
Massa
Pasipatan sadia
Biologis
Kimia
Lipinski
Struktur Patali
| Harta | Nilai | Kaayaan | 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) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Kaayaan | 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 | Nilai | Kaayaan | 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 |
| Kalarutan Intrinsik Massa | 8,4 x 10-5 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,019 g/L | pH 1;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,4 x 10-3 g/L | pH 2;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,1 x 10-4 g/L | pH 3;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,1 x 10-4 g/L | pH 4;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 8,4 x 10-5 g/L | pH 5;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 8,4 x 10-5 g/L | pH 6;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 8,4 x 10-5 g/L | pH 7;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 8,4 x 10-5 g/L | pH 8;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,1 x 10-4 g/L | pH 9;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 4,0 x 10-4 g/L | pH 10;Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 8,4 x 10-5 g/L | Cai Unbuffered pH 7,00;Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 1,1 x 10-7 mol / L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,5 x 10-5 mol/L | pH 1;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,1 x 10-6 mol / L | pH 2;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,1 x 10-7 mol / L | pH 3;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,4 x 10-7 mol / L | pH 4;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,1 x 10-7 mol / L | pH 5;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,1 x 10-7 mol / L | pH 6;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,1 x 10-7 mol / L | pH 7;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,1 x 10-7 mol / L | pH 8;Suhu: 25 °C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kalarutan molar | 1,5 x 10-7 mol / L | pH 9;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,2 x 10-7 mol/L | pH 10;Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,1 x 10-7 mol / L | Cai Unbuffered pH 7,00;Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 760.81 | ||
| pKa | 9.39±0.10 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Suhu Dasar: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Kaayaan | Sumber |
| Bébas Rotatable Beungkeut | 18 | (1) ACD | |
| H Akséptor | 13 | (1) ACD | |
| H Donor | 1 | (1) ACD | |
| H Donor / Akséptor Jumlah | 14 | (1) ACD | |
| logP | 6,581±0,646 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 760.81 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber Kaayaan |
| Wewengkon Permukaan Polar | 155 A2 | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spéktra sadia
1 H NMR
13 C NMR
| Kodeu | Pernyataan Hazard | Sumber |
| H335 | Bisa ngabalukarkeun iritasi engapan | Ahli Curated |
| H331 | Racun upami diseuseup | Ahli Curated |
| H319 | Ngabalukarkeun iritasi panon serius | Ahli Curated |
| H315 | Nyababkeun iritasi kulit | Ahli Curated |
| Kodeu | Pernyataan Hazard | Sumber |
| H311 | Toksik dina kontak sareng kulit | Ahli Curated |
| H301+H311+H331 | Toksik lamun ditelek, dina kontak jeung kulit atawa kaseuseup | Ahli Curated |
| H301 | Beracun lamun ditelek | Ahli Curated |
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