![C39H37n5O7 Adenosine, N-Benzoyl-5'-o- [4-Methylmyl] -2'- o-methyl- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
C39H37n5O7 Adenosine, N-Benzoyl-5'-o- [4-Methylmyl] -2'- o-methyl- (9ci, ACI)
| Prìomh thogalaichean corporra | Luach | Suidheachadh |
| Cuideam molecular | 687.74 | - |
| Dùmhlachd (ro-innse) | 1.32 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
| paka (ro-innse) | 7.87 ± 0.43 | Temp as searbhagach: 25 ° C. |
Gàire canonical o = c (nc1 = nc = nc2 = cc = cc = c = cc = c (O) c = cc = c (O) c = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc7
Gàire isomicic
C (OC [C @ B @] 1O [C @B = CC = CC = CC = C. = CC = C (N6 = cc = c (OC) C7 = cc = cc = c7
Inchi
Inchi = 1s / c39H375O7 / C1-47-29-18-2-5-5-5-5-5-5-5-5-5-5-5-5-5-5-3-3-3-33 (48-3) 38 (51- 31) 44-24-42-35 (40-23-36 (323-27 (46,41,41,46,41,46-, 33-, 33-,
34-, 38- / M1 / S1
Iuchair Inchi
SarhdaqozczcC-cjegoscrc-n
1 ainm eile airson an stuth seo
N-beinnzoyl-5'-o- [bis (4-modh-obrach (4-motaireachd) -2'-o-methyladesine (ACI)
Spectra ri fhaighinn
1h nmr
13c nmr
Maise
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Dùmhlachd
Lipinski
Structar co-cheangailte
Bith-eòlasach
| Seilbh | Luach | Suidheachadh | Stòr |
| Dà fhaclan bith-eòlasach | 47800 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.63 x 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.16 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.23 x 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.23 x 105 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 2.18 x 105 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 1.79 x 105 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 64900 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 10600 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Dà fhaclan bith-eòlasach | 3110 | 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)
Ceimigeach
| Seilbh | Luach | Suidheachadh | Stòr |
| Koc | 50200 | Ph 1; Temp: 25 ° C. | (1) ACD |
| Koc | 1.71 X 105 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Koc | 2.26 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Koc | 2.34 X 105 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Koc | 2.34 X 105 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Koc | 2.29 x 105 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Koc | 1.88 x 105 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Koc | 68000 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Koc | 11200 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Koc | 3260 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 6.67 | Ph 1; Temp: 25 ° C. | (1) ACD |
| logd | 7.21 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 7.34 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 7.34 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 7.33 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 7.25 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 6.80 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 6.02 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 5.49 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logp | 7.344 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Misneachd solbalileachd neo-ghnèitheach mòr | 2.7 x 10-6 G / L | Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.2 x 10-5 g / l | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.7 x 10-6 G / L | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 2.8 x 10-6 G / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 2.8 x 10-6 G / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 2.8 x 10-6 G / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 2.8 x 10-6 G / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.4 X 10-6 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 9.6 x 10-6 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 5.7 x 10-5 g / l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 1.9 x 10-4 G / L | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solbuility mòr | 3.4 X 10-6 G / L | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
| Solbalileachd neo-ghnèitheach molar | 3.9 x 10-9 Mol / L. | Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.8 x 10-8 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 5.4 x 10-9 mol / l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 4.1 x 10-9 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 4.0 x 10-9 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 4.0 x 10-9 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
| Seilbh | Luach | Suidheachadh | Stòr |
| Solubility molar | 4.0 x 10-9 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 4.9 x 10-9 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 1.4 x 10-8 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 8.3 x 10-8 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 2.8 x 10-7 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility molar | 4.9 x 10-9 Mol / L. | Uisge neo-ainmichte pH 7.00; Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 687.74 | ||
| paka | 7.87 ± 0.43 | Temp as searbhagach: 25 ° C. | (1) ACD |
| paka | 1.39 ± 0.10 | 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)
Dùmhlachd
| Seilbh | Luach | Suidheachadh | Stòr |
| Dùmhlachd | 1.32 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
| Tomhas-lìonaidh molar | 518.5 ± 7.0 cm3 / mol | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Lipinski
| Seilbh | Luach | Suidheachadh | Stòr |
| Bannan gu tur ro-bheathaichte | 12 | (1) ACD | |
| Hrrairean | 12 | (1) ACD | |
| Hnors her | 2 | (1) ACD | |
| H tabhartaiche / geurraiche suim | 14 | (1) ACD | |
| logp | 7.344 ± 0.723 | Temp: 25 ° C. | (1) ACD |
| Cuideam molecular | 687.74 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Structar co-cheangailte
| Seilbh | Luach | Suidheachadh | Stòr |
| Raon uachdar pòla | 139 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
1h nmr
Spectra ri fhaighinn
13c nmr
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