![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) na nagtatampok ng imahe](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)
Numero ng rehistro ng CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon | |
| Molekular na timbang | 760.81 | - | |
| pka (hinulaang) | 9.39 ± 0.10 | Karamihan sa acidic temp: 25 ° C. |
Canonical smiles
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.
Ngumiti si Isomeric
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) c4)
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 iba pang pangalan para sa sangkap na ito
Uridine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9ci)
Magagamit ang spectra
Mass
Magagamit ang mga pag -aari
Biological
Kemikal
Lipinski
May kaugnayan sa istraktura
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 254 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 2050 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 15400 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 46000 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 57500 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 58900 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 58900 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 56800 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 42300 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 12200 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| KOC | 389 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 3140 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 23600 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 70500 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 88100 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 90300 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 90200 | Ph 7; Temp: 25 ° C. | (1) ACD |
| KOC | 87100 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 64800 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 18700 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| logd | 4.21 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 5.12 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 6.00 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 6.47 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 6.57 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 6.58 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 6.58 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 6.56 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 6.44 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 5.90 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | 6.581 ± 0.646 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 8.4 x 10-5 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.019 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.4 x 10-3 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.1 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.1 x 10-4 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 8.4 x 10-5 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 8.4 x 10-5 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 8.4 x 10-5 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 8.4 x 10-5 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.1 x 10-4 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 4.0 x 10-4 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 8.4 x 10-5 g/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 1.1 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.5 x 10-5 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.1 x 10-6 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 4.1 x 10-7 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.4 x 10-7 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.1 x 10-7 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.1 x 10-7 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.1 x 10-7 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.1 x 10-7 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 1.5 x 10-7 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.2 x 10-7 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.1 x 10-7 mol/l | Hindi nabuong tubig pH 7.00; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 760.81 | ||
| PKA | 9.39 ± 0.10 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 3.45 ± 0.70 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Malayang rotatable bond | 18 | (1) ACD | |
| H Mga Tanggap | 13 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| Logp | 6.581 ± 0.646 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 760.81 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
| Ari -arian | Halaga | Mapagkukunan ng kondisyon |
| Polar Surface Area | 155 A2 | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Magagamit ang spectra
1 h nmr
13 C NMR
| Code | Pahayag ng peligro | Pinagmulan |
| H335 | Maaaring maging sanhi ng pangangati sa paghinga | Curated Curated |
| H331 | Nakakalason kung inhaled | Curated Curated |
| H319 | Sanhi ng malubhang pangangati sa mata | Curated Curated |
| H315 | Nagiging sanhi ng pangangati ng balat | Curated Curated |
| Code | Pahayag ng peligro | Pinagmulan |
| H311 | Nakakalasing sa pakikipag -ugnay sa balat | Curated Curated |
| H301+H311+H331 | Nakakalason kung nilamon, sa pakikipag -ugnay sa balat o ng inhaled | Curated Curated |
| H301 | Nakakalason kung nilamon | Curated Curated |
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