C15h21n5o6 Guanosine, 2'-o-methyl-n- (2-metil-1-oxopropyl) - (9ci, ACI)
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 367.36 | - |
| Kapadhetan (diprediksi) | 1.68 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 9.16 ± 0,20 | Temp paling asam: 25 ° C |
Mesem kanonik o = c1n = c (nc (= o) c (c) c) nc2 = cn2c3Oc (co) c3oc
Isomeric mesem o (c @ @ c @ h] (n2c3 = c (= o) n = c) = c (c) [c @ h] 1o
INCI
Kopi = 1s / c15h21n5O6 / c1-6 (2) 12 (23) 18-15 (25) 19-14 (4) 7-14 (4-21,1-10,2,2,2,2,2,211 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7-,9-,10-,14-/m1/s1
Kunci inci
Rpulcyxeyodqog-akaijsegsa-n
2 jeneng liya kanggo zat iki
2'-O-Methyl-N- (2-metil-1-oxopropyl) Guanosine (ACI);N2-isobutyryl-2'-O-methylguanosine
Spektrum kasedhiya
1h nmr
13c NMR
Massa
| Properties kasedhiya |
| Biologis |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1.0 | 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 | 2.12 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 8.67 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 12.6 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 13.3 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 13.3 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 13.3 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 13.2 | pH 7; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Koc | 12.5 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 7.85 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1.76 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | -1.26 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | -0.65 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | -0.49 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | -0.47 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | -0.46 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | -0.46 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | -0.47 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | -0.49 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | -0.69 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | -1.34 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | -0.464 ± 0.636 | Temp: 25 ° C | (1) ACD |
| Kelarutan Kelainan Intrinsik Massa | 0.55 g / l | Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 3,5 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.84 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.59 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.55 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.55 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.55 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.55 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.59 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.96 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 4.4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan massa | 0.55 g / l | Banyu banyu sing ora dibayar 6.00; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik Molar | 1,5 x 10-3 mol / l | Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 9.6 x 10-3 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.3 x 10-3 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.6 x 10-3 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,5 x 10-3 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,5 x 10-3 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Kelarutan molar | 1,5 x 10-3 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,5 x 10-3 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1.6 x 10-3 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 2.6 x 10-3 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 0,012 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Kelarutan molar | 1,5 x 10-3 mol / l | Banyu banyu sing ora dibayar 6.00; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 367.36 | ||
| PKA | 9.16 ± 0,20 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | 1.73 ± 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 | 1.68 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 217.6 ± 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 | 6 | (1) ACD | |
| H Nampa | 11 | (1) ACD | |
| H donor | 4 | (1) ACD | |
| H Donor / Sumrah Panampa | 15 | (1) ACD | |
| logp | -0.464 ± 0.636 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 367.36 |
(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 | 147 a2 | (1) ACD | |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
Spektrum kasedhiya
13c NMR
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