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C4h49N49n4TN Monidine, 5 '-o- [Bis (4-methyl-nepremyl], 1-methyleyl) Phasphonelidite] (ACI)
Àireamh Clàrs Cas
110764-79-9
H335, H331, H319, H315, H315, H311, H301 + H31 + H331, H301
| Prìomh thogalaichean corporra | Luach | Suidheachadh | |
| Cuideam molecular | 760.81 | - | |
| paka (ro-innse) | 9.39 ± 0.10 | Temp as searbhagach: 25 ° C. |
Smiles Canonical
N # CCCoP (OC1C (OC (OC (N2C = CC (= o) C = CC = C (CC = C (C (C (C (C) C. C (C) C.
Gàire isomicic
C (OC [C @@] 1 [C @/ (C (CC = CC = C (Oc) C = cc = cc = cc = c (OC) C = c4) c5 = cc = cc = cc = c5
Inchi
Inchi = 1s / C40h49N49N49N / C1-27 (2-24-22 (43-32 (43) 42-35 (43) 46-50-40 (29-1 2-9-8-8-10-14-29,4-18-32 (47-5) 19-15-30) 21-16-28,24,24,25-26H2,1-7H3,
(H, 42,45,46) / T34-, 36-, 38-, 54, 54? / M1 / S1
Iuchair Inchi
Uvuojoldpndcndcncihl-xkzjcbtisa-n
1 ainm eile airson an stuth seo
Uridine, 5 '-O- [BIS (4-Neach-obrach) dha na Leumnylmeyl] -2 '-O-mothyl-, 3 '- [2-Cyanosethyl bis (1-methyleyl) fosphoondidite] (9ci)
Spectra ri fhaighinn
Maise
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar co-cheangailte
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 254 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2050 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 15400 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 46000 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 57500 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 58900 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 58900 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 56800 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 42300 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 12200 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Suidheachadh | Stòr |
| 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 |
| Seilbh | Luach | Suidheachadh | Stòr |
| 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 |
| Misneachd solbalileachd neo-ghnèitheach mòr | 8.4 x 10-5 g / l | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 0.019 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 2.4 x 10-3 G / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.1 x 10-4 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.1 x 10-4 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 8.4 x 10-5 g / l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 8.4 x 10-5 g / l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 8.4 x 10-5 g / l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 8.4 x 10-5 g / l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.1 x 10-4 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 4.0 x 10-4 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 8.4 x 10-5 g / l | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 1.1 x 10-7 Mol / L. | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.5 x 10-5 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 3.1 x 10-6 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 4.1 x 10-7 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.4 x 10-7 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.1 x 10-7 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.1 x 10-7 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.1 x 10-7 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.1 x 10-7 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Solubility molar | 1.5 x 10-7 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 5.2 x 10-7 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.1 x 10-7 Mol / L. | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 760.81 | ||
| paka | 9.39 ± 0.10 | Temp as searbhagach: 25 ° C. | (1) ACD |
| paka | 3.45 ± 0.70 | Temp as bunaitiche: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Suidheachadh | Stòr |
| Bannan gu tur ro-bheathaichte | 18 | (1) ACD | |
| Hrrairean | 13 | (1) ACD | |
| Hnors her | 1 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 14 | (1) ACD | |
| logp | 6.581 ± 0.646 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 760.81 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
| Seilbh | Luach | Stòr cumhachd |
| Raon uachdar pòla | 155 A2 | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Spectra ri fhaighinn
1 h nmr
13 c nmr
| Còd | Aithris cunnart | Stòr |
| H335 | Faodaidh e irioslachd analach adhbhrachadh | Eòlaiche air a ghlèidheadh |
| H331 | Puinnseanta ma tha e ann an cunnart | Eòlaiche air a ghlèidheadh |
| H319 | Ag adhbhrachadh droch bhèitheas sùla | Eòlaiche air a ghlèidheadh |
| H315 | Ag adhbhrachadh mì-thoileachas craiceann | Eòlaiche air a ghlèidheadh |
| Còd | Aithris cunnart | Stòr |
| H311 | Puinnseanta ann an conaltradh le craiceann | Eòlaiche air a ghlèidheadh |
| H301 + H311 + H331 | Puinnseanta ma thèid a shlugadh, ann an conaltradh le craiceann no de dh 'inntinn | Eòlaiche air a ghlèidheadh |
| H301 | Puinnseanta ma thèid a shlugadh | Eòlaiche air a ghlèidheadh |
