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C40H49N4O9P Uridinia, 5 '-o- [BIS (4-Mantexyphyl] -2'-Cyanoethyl N, N-BIS (1-Methylethyl) (ACI)
Nomer Registri CAS
110764-79-9
H335, H331, H319, H315, H311, H301 + H311 + H331, H301
| Properties fisik Key | Regane | Kondisi | |
| Bobot molekuler | 760.81 | - | |
| Pka (diprediksi) | 9.39 ± 0,10 | Temp paling asam: 25 ° C |
Mesem kanonik
N # cccop (oc1c (oc (oc = cc (= o) nc2 = o) c1Oc) c1 = c5 = c5 = c5 = c5 = c5) n (c) c (c) c (c) c
Mesem isomerat
C (OC [C @@@ H] 1 [C @@ H] (n (c) C = C3) (OC) C = C3) (OC) (OC) (OC = C3) C = C4) C5 = CC = CC = C5
INCI
Kopi = 1s / c40h49n4o9p / c1-27 (2) 44 (28 (28 (3-21) 43-21) 43-3) 46-3) 46-3) 46-3-7 (43) 46) 2-9-8-10-13-29,30-18-32 (47-5) 19-16-20-33 (48-6) 21-17-31 / h8-10,12-22,34,27-28,34,37-7,25-26h2,1-7h3,
(H, 42,45,46) / t34-, 36-, 37-, 38-, 54? / M1 / s1
Kunci inci
Uvuojolpnihl-xkzjcbtisa-n
1 Jeneng liyane kanggo zat iki
Uridine, 5 '-O- [bis (4-meteixyphenht) phenylmethyl] -2 '-O-Methyl-, 3 '- [2-Cyanoethyl BIS (1-Methylethyl) Phosphoramidite] (9CI)
Spektrum kasedhiya
Massa
Properties kasedhiya
Biologis
Kimia
Lipinski
Struktur sing gegandhengan
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 254 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 2050 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 15400 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 46000 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 57500 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 58900 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 58900 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 56800 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 42300 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 12200 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
| Properti | Regane | Kondisi | Sumber |
| 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 |
| Properti | Regane | Kondisi | Sumber |
| 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 |
| Kelarutan Kelainan Intrinsik Massa | 8.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.019 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 2.4 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3.1 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.1 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 8.4 x 10-5 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 8.4 x 10-5 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 8.4 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 8.4 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.1 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 4.0 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 8.4 x 10-5 g / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 1.1 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2,5 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 3.1 x 10-6 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 4.1 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,4 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.1 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.1 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.1 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.1 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 1,5 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 5.2 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.1 x 10-7 mol / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 760.81 | ||
| PKA | 9.39 ± 0,10 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | 3.45 ± 070 | Umume Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
| Properti | Regane | Kondisi | Sumber |
| Obligasi kanthi bebas | 18 | (1) ACD | |
| H Nampa | 13 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor / Sumrah Panampa | 14 | (1) ACD | |
| logp | 6.581 ± 0.646 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 760.81 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
| Properti | Regane | Sumber kahanan |
| Area permukaan polar | 155 A2 | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1 h nmr
13 c nmr
| Kode | Statement bahaya | Sumber |
| H335 | Bisa nyebabake gangguan ambegan | Ahli curated |
| H331 | Beracun yen dihirup | Ahli curated |
| H319 | Nyebabake gangguan mripat serius | Ahli curated |
| H315 | Nyebabake gangguan kulit | Ahli curated |
| Kode | Statement bahaya | Sumber |
| H311 | Beracun ing kontak karo kulit | Ahli curated |
| H301 + H311 + H331 | Beracun yen ditelan, kontak karo kulit utawa dihirup | Ahli curated |
| H301 | Beracun yen ditelan | Ahli curated |
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