![C40H49N4O9P Ûrîdîn, 5' -O- [bis(4-metoksîfenîl)fenîlmethyl]-2' -O-metîl-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridine, 5' -O- [bis(4-methoxyphenyl)fenylmethyl]-2' -O-methyl-, 3' - [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI) Wêne ya Taybet](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine.png)
C40H49N4O9P Ûrîdîn, 5' -O- [bis(4-metoksîfenîl)fenîlmethyl]-2' -O-metîl-, 3' – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)
Hejmara qeydê ya CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Taybetmendiyên fizîkî yên sereke | Nirx | Condition | |
| Giraniya molekulî | 760.81 | - | |
| pKa (Pêşbînî kirin) | 9,39±0,10 | Germahiya herî asîdî: 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
SMILES Îzomerî
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 Navê din ji bo vê madeyê
Uridine, 5′ -O- [bis(4-metoksîfenîl)fenîlmethyl]-2'-O-methyl-, 3' - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)
Spectra heye
Gel
Taybetmendiyên berdest
Biyolojîkî
Şîmyakî
Lipinski
Structure Related
| Mal | Nirx | Condition | Kanî |
| Faktora Bioconcentration | 254 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2050 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 15400 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 46000 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 57500 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 58900 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 58900 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 56800 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 42300 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 12200 | pH 10; Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Nirx | Condition | Kanî |
| Koc | 389 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 3140 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 23600 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 70500 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 88100 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 90300 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 90200 | pH 7; Germ: 25 °C | (1) ACD |
| Koc | 87100 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 64800 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 18700 | pH 10; Germ: 25 °C | (1) ACD |
| Mal | Nirx | Condition | Kanî |
| logD | 4.21 | pH 1; Germ: 25 °C | (1) ACD |
| logD | 5.12 | pH 2; Germ: 25 °C | (1) ACD |
| logD | 6.00 | pH 3; Germ: 25 °C | (1) ACD |
| logD | 6.47 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 6.57 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 6.58 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 6.58 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 6.56 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 6.44 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 5.90 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 6,581±0,646 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 8,4 x 10-5 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 0,019 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,4 x 10-3 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,1 x 10-4 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,1 x 10-4 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 8,4 x 10-5 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 8,4 x 10-5 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 8,4 x 10-5 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 8,4 x 10-5 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,1 x 10-4 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 4,0 x 10-4 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 8,4 x 10-5 g/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 1,1 x 10-7 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,5 x 10-5 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 3,1 x 10-6 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,1 x 10-7 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-7 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-7 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-7 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-7 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-7 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Mal | Nirx | Condition | Kanî |
| Çareseriya Molar | 1,5 x 10-7 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,2 x 10-7 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,1 x 10-7 mol/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 760.81 | ||
| pKa | 9,39±0,10 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Germahiya herî bingehîn: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Nirx | Condition | Kanî |
| Bonds Bi Azadî Rotable | 18 | (1) ACD | |
| H Qebûrker | 13 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qebûl Sum | 14 | (1) ACD | |
| logP | 6,581±0,646 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 760.81 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
| Mal | Nirx | Çavkaniya Rewşa |
| Qada Rûyê Polar | 155 A2 | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1 H NMR
13 C NMR
| Navê dizî | Daxuyaniya xeterê | Kanî |
| H335 | Dibe ku bibe sedema acizbûna nefesê | Expert Curated |
| H331 | Ger bêhin bibe jehrîn | Expert Curated |
| H319 | Bû sedema acizbûna çavê giran | Expert Curated |
| H315 | Sedema hêrsbûna çerm | Expert Curated |
| Navê dizî | Daxuyaniya xeterê | Kanî |
| H311 | Di têkiliya bi çerm re toksîk e | Expert Curated |
| H301+H311+H331 | Ger were daqurtandin, bi çermê re an jî dema bêhingirtinê were daqurtandin, jehrîn e | Expert Curated |
| H301 | Ger were daqurtandin jehr e | Expert Curated |
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