![C41H41N5O8 adenosine, n-benzoyl-5'-o- [BIS (4-meteixyphanyl] -2'- O- (2-METEXYEGYL) - (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
C41H41N5O8 adenosine, n-benzoyl-5'-o- [BIS (4-meteixyphanyl] -2'- O- (2-METEXYEGYL) - (9CI, ACI)
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 731.79 | - |
| Lelting Point (Eksperimen) | 119-121 ° C | - |
| Kapadhetan (diprediksi) | 1.31 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 7.87 ± 0.43 | Temp paling asam: 25 ° C |
Mesem kanonik o = c (nc1 = nc = nc2 = cn2c3Oc (c5 = c5) c5 c6 = c6) c (oc) c (oc) c = 7c = c4
Mesem isomerat
C (OC [C @ h] 1O [C @ h] ([n = c4) (oc) c4 = c5 = c5) (oc = c5) (oc = c5) (oc) c
= C6) c7 = cc = cc = c7
INCI
Kopi = 1s / c41h41n5o8 / c1-49-22-23-52-3-35 (34-26-4-34-8-6-6-6-6-2-7-11-2-7-1) 24-53- 41 (28-12-8-5-9-19-14-18-31 (50-2) 19-15-29) 30-16-20-32 (51-3) 21-17-30,25-240,476-2,40,47G, 22-247.25h3, (H, 42,43,45,48) / t33-, 35-, 36-, 40- / m1 / s1
Kunci inci
Kevmxgndtksmc-mumpvma-n
16 Jeneng liya kanggo zat iki
N-benzoyl-5'-o- [bis (4-meteixyphentri) -2'-o- (2-METEXYEGYL) adenosine (ACI); 17: PN: US2003021160 kaca: 19 urutan sing ngaku; 18: PN: US200400055569 Kaca: 22 Ukuran urutan; 20: PN: US20040006030 Halaman: 23 urutan ngaku; 20: PN: US20040014047 Halaman: 21 Ukuran urutan; 20: PN: US20040014049 Kaca: 21 Urutan urutan; 21: PN: PAG US20040005570
E: 20 urutan sing ngaku; 21: PN: US200400140848 Kaca: 21 Ukuran urutan; 21: PN: US20040014050 kaca: 20 urutan sing ngaku; 22: PN: US200400055565 Halaman: 17 22 ngaku urutan; 22: PN: US200400151 Kaca: 23 urutan sing ngaku; 23: PN: US20040 014699 Kaca: 20 urutan sing ngaku; 24: PN: US20040006029 Kaca: 23 urutan ngaku; 24: pn: WOX3106645 Halaman: 73 urutan; 5'-dimetHoxyTrityl-2'-o- (2-METEXYECHYL) -N6-benzoyl adenosine; 95: PN: US20040005707 Halaman: 20 Ukuran urutan
| Properties kasedhiya |
| Termal |
Termal
| Properti | Regane | Kondisi | Sumber |
| Titik lebur | 119-121 ° C | (1) cas | |
(1) Penjarla, Srishylam; Nukleosida, nukléotida & asam nukleat, (2018), 37 (4), 232-247, caplus
Spektrum kasedhiya
1h nmr
13c NMR
| Properties kasedhiya |
| Biologis |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 31700 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.08 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.43 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.48 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.48 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.45 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.19 x 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 43000 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 7050 | PH 9; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 2060 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kimia
| Properti | Regane | Kondisi | Sumber |
| Koc | 37400 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 1.28 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 1.69 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 1.74 x 105 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 1.74 x 105 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 1.71 x 105 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1.40 X 105 | pH 7; Temp: 25 ° C | (1) ACD |
| Koc | 50700 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 8320 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 2430 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 6.44 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 6.97 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 7.09 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 7.11 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | 7.11 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | 7.10 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | 7.01 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 6.57 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 5.78 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 5.25 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 5.6 x 10-6 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 2.6 x 10-5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 7.3 x 10-6 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.8 x 10-6 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.6 x 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.6 x 10-6 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 5.7 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 7.0 x 10-6 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan massa | 1.9 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 1.2 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 | 7.0 x 10-6 g / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 7.6 x 10-9 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 3.6 x 10-8 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.0 x 10-8 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.9 x 10-9 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.7 x 10-9 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.7 x 10-9 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 7.8 x 10-9 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 9.6 x 10-9 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.6 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.6 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 5.5 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 9.5 x 10-9 mol / l | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 731.79 | ||
| PKA | 7.87 ± 0.43 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | 1.39 ± 0,10 | Umume Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kapadhetan
| Properti | Regane | Kondisi | Sumber |
| Kapadhetan | 1.31 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 556.9 ± 7.0 cm3 / mol | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Lipinski
| Properti | Regane | Kondisi | Sumber |
| Obligasi kanthi bebas | 15 | (1) ACD | |
| H Nampa | 13 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor / Sumrah Panampa | 15 | (1) ACD | |
| Properti | Regane | Kondisi | Sumber |
| logp | 7.109 ± 0.766 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 731.79 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Struktur sing gegandhengan
| Properti | Regane | Kondisi | Sumber |
| Area permukaan polar | 148 A2 | (1) ACD | |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
13c NMR
![C10h12n2O5 6h-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-siji, 9r, 9-metil-, (2r, 9, 9R, 9RA, ACI, ACI, ACI, ACI, ACI, ACI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
