![C40H49N4O9P Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O-methyl-, 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) phenylmethyl] -2' -O-methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI) Aworan Afihan](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O-methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)
Nọmba iforukọsilẹ CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Key Properties Properties | Iye | Ipo | |
| Òṣuwọn Molikula | 760.81 | - | |
| pKa (Asọtẹlẹ) | 9.39 ± 0.10 | Pupọ Epo otutu: 25 °C |
Ẹ̀RẸ̀ KẸ̀LẸ̀
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
ISOMERIC 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 Oruko miiran fun nkan yii
Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)
Spectra wa
Ibi
Awọn ohun-ini ti o wa
Ti ibi
Kemikali
Lipinski
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 254 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2050 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 15400 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 46000 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 57500 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 58900 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 58900 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 56800 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 42300 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 12200 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 389 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 3140 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 23600 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 70500 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 88100 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 90300 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 90200 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 87100 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 64800 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Koc | Ọdun 18700 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | 4.21 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.12 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.00 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.47 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.57 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.58 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.58 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.56 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.44 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.90 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logP | 6.581 ± 0.646 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 8,4 x 10-5 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.019 g/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2,4 x 10-3 g/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.1 x 10-4 g/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-4 g/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 8,4 x 10-5 g/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 8,4 x 10-5 g/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 8,4 x 10-5 g/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 8,4 x 10-5 g/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-4 g/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 4.0 x 10-4 g/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 8,4 x 10-5 g/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1.1 x 10-7 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.5 x 10-5 mol/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 3.1 x 10-6 mol/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.1 x 10-7 mol/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-7 mol / L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 1,5 x 10-7 mol/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.2 x 10-7 mol/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-7 mol/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 760.81 | ||
| pKa | 9.39 ± 0.10 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 3,45 ± 0,70 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 18 | (1) ACD | |
| H Awọn olugba | 13 | (1) ACD | |
| H Awọn oluranlọwọ | 1 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 14 | (1) ACD | |
| logP | 6.581 ± 0.646 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 760.81 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ohun ini | Iye | Orisun ipo |
| Pola dada Area | 155 A2 | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1 H NMR
13 C NMR
| Koodu | Gbólóhùn ewu | Orisun |
| H335 | Le fa ibinu ti atẹgun | Amoye Curated |
| H331 | Majele ti o ba ti ifasimu | Amoye Curated |
| H319 | O fa ibinu oju pataki | Amoye Curated |
| H315 | O fa ibinu awọ ara | Amoye Curated |
| Koodu | Gbólóhùn ewu | Orisun |
| H311 | Majele ninu olubasọrọ pẹlu awọ ara | Amoye Curated |
| H301+H311+H331 | Majele ti o ba gbemi, ni olubasọrọ pẹlu awọ ara tabi ti ifasimu | Amoye Curated |
| H301 | Oloro ti o ba gbe | Amoye Curated |
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