![C43H55N4O10P Uridin, 5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- métilétil)fosfor amida] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C43H55N4O10P Uridin, 5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- métilétil)fosfor amida] (ACI) Gambar Unggul](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine.png)
C43H55N4O10P Uridin, 5′ -O- [bis(4-metoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- métilétil)fosfor amida] (ACI)
Nomer pendaptaran CAS
163878-63-5
H302
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 818.89 | - |
| pKa (diprediksi) | 9,55±0,10 | Suhu Paling Asam: 25 °C |
SMILES Canonical
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)C
Isomerik SMILES
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(OC)C=C3)(C4=CC =C(OC)C=C4)C5= CC=CC=C5
InChI
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/h9-11,13-22,27,29-30,37-39 ,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1
Konci InChI
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Ngaran séjén pikeun Zat ieu
Uridin, 5′-O- [bis(4-metoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)- 5-methyl-, 3′- [2-cyanoethylbis(1-methylethyl)phosphor
amida] (9CI); 10: PN: US20030212017 kaca: 18 ngaku RNA; 11: PN: US20030211606 kaca: 18 ngaku RNA; 13: PN: US20040
005569 kaca: 21 ngaku RNA; 13: PN: US20040006030 kaca: 22 ngaku RNA; 13: PN: US20040014048 kaca: 19 ngaku RNA; 13: PN: US20040014049 kaca: 19 ngaku RNA; 14: PN: US20030198965 kaca: 19 ngaku RNA; 14: PN: US20040005565 kaca: 17- 22 ngaku RNA; 14: PN: US20040005570 kaca: 19 ngaku RNA; 14: PN: US20040014047 kaca: 19 ngaku RNA; 14: PN: US20040
014699 kaca: 19 ngaku RNA; 15: PN: US20040014050 kaca: 19 ngaku RNA; 15: PN: US20040014051 kaca: 21 ngaku RNA; 15:
PN: WO03106645 Kaca: 69 ngaku RNA; 16: PN: US20040006029 kaca: 22 ngaku RNA; 87: PN: US20040005707 HALAMAN: 19 ngaku RNA
Spéktra sadia
1 H NMR
13 C NMR
Hétéro NMR
Pasipatan sadia
Biologis
Kimia
Lipinski
Struktur Patali
| Harta | Nilai | kaayaan | Sumber |
| Faktor Biokonsentrasi | 348 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 2810 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 21100 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 63100 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 78800 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 80800 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 80800 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 78800 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 63400 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 21800 | 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 | 487 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 3940 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 29600 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 88400 | pH 4; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Koc | 1.10 x 105 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 1,13 x 105 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 1,13 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 1.10 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 88800 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 30600 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 4.39 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 5.30 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 6.18 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 6.65 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 6.75 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 6.76 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 6.76 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 6.75 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 6.65 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 6.19 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 6,761±0,669 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 2,0 x 10-4 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,046 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,7 x 10-3 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 7,6 x 10-4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,5 x 10-4 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,0 x 10-4 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,0 x 10-4 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,0 x 10-4 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,0 x 10-4 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,5 x 10-4 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 7,4 x 10-4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,0 x 10-4 g/L | Cai Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 2,4 x 10-7 mol / L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 5,6 x 10-5 mol/L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 7,0 x 10-6 mol/L | pH 2; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Kalarutan molar | 9,3 x 10-7 mol / L | pH 3; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,1 x 10-7 mol / L | pH 4; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,5 x 10-7 mol / L | pH 5; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,4 x 10-7 mol / L | pH 6; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,4 x 10-7 mol / L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,5 x 10-7 mol / L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,1 x 10-7 mol / L | pH 9; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 9,0 x 10-7 mol / L | pH 10; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,4 x 10-7 mol / L | Cai Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 818.89 | ||
| pKa | 9,55±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 | 21 | (1) ACD | |
| H Akséptor | 14 | (1) ACD | |
| H Donor | 1 | (1) ACD | |
| H Donor / Akséptor Jumlah | 15 | (1) ACD | |
| logP | 6,761±0,669 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 818.89 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber Kaayaan |
| Wewengkon Permukaan Polar | 164 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
| Sumber Pernyataan Hazard Kode | |
| H302 Ngabahayakeun lamun ditelan | Klasifikasi & Labeling Badan Kimia Éropa (ECHA). Inventaris - Klasifikasi sareng labél anu dibéjakeun - béwara paling umum, Badan Kimia Éropa (ECHA) Inventaris Klasifikasi & Labeling - Klasifikasi sareng panyiri dibéjakeun - béwara paling serius |
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