C11H15N5O5 guanosiin, 2 '-o-metüül- (7ci, 8ci, 9ci, ACI)
CAS -i registri number
2140-71-8
| Peamised füüsilised omadused | Väärtustama | Tingimus |
| Molekulmass | 297.27 | - |
| Sulamispunkt (eksperimentaalne) | 233-235 ° C | Lahusti: metanool |
| Tihedus (ennustatud) | 1,98 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (ennustatud) | 9,64 ± 0,20 | Kõige happelisem temp: 25 ° C |
Kanoonilised naeratused
O = C1N = C (N) NC2 = C1N = CN2C3OC (CO) C (O) C3OC
Isomeersed naeratused
O (c) [c@h] 1 [c@h] (n2c3 = c (n = c2) c (= o) n = c (n) n3) o [c@h] (co) [c@h] 1o 1o
Intrici
Tolli = 1S/C11H15N5O5/C1-20-7-6 (18) 4 (2-17) 21-10 (7) 16-3-13-5-8 (16) 14-11 (12) 15-9 (5) 19/H3-4,6-7,10,10-18H, 2H2,19) (H3,12,14,14,14,19) /T4-, 6-, 7-, 10-/M1/S1
Tolli võti
Ovyngsfvyrprcg-kqynxxcusa-n
1 selle aine teine nimi
2 ′ -O-Metüültguanosiin (ACI)
Saadaolevad omadused
Kemikaal-
Soojus-
| Omand | Väärtustingimus | Allikas |
| pka | 9.5 | (1) CAS |
(1) Bhamra, inder; Nukleiinhapete uuringud,
| Omand | Väärtustama | Tingimus | Allikas |
| Sulamispunkt | 233-235 ° C | Lahusti: metanool | (1) CAS |
(1) Kore, Anilkumar R.; Nukleosiidid, nukleotiidid ja nukleiinhapped,
Spektrid saadaval
1 h nmr
13 C nmr
Mass
Saadaolevad omadused
Bioloogiline
Kemikaal-
Tihedus
Lipinski
Struktuuriga seotud
| Omand | Väärtustama | Tingimus | Allikas |
| Biokontsentreerimistegur | 1,0 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokontsentreerimistegur | 1,0 | pH 2; Temp: 25 ° C | (1) ACD |
| Biokontsentreerimistegur | 1,0 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokontsentreerimistegur | 1,0 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokontsentreerimistegur | 1,0 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokontsentreerimistegur | 1,0 | pH 6; Temp: 25 ° C | (1) ACD |
| Omand | Väärtustama | Tingimus | Allikas |
| Biokontsentreerimistegur | 1,0 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokontsentreerimistegur | 1,0 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokontsentreerimistegur | 1,0 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokontsentreerimistegur | 1,0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Arvutatud Advanced Chemistry Development (ACD/Labs) tarkvara V11.02 (© 1994-2023 ACD/Labs)
| Omand | Väärtustama | Tingimus | Allikas |
| KOC | 1,0 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 1.19 | pH 2; Temp: 25 ° C | (1) ACD |
| KOC | 3.42 | pH 3; Temp: 25 ° C | (1) ACD |
| KOC | 4.23 | pH 4; Temp: 25 ° C | (1) ACD |
| KOC | 4.33 | pH 5; Temp: 25 ° C | (1) ACD |
| KOC | 4.34 | pH 6; Temp: 25 ° C | (1) ACD |
| KOC | 4.33 | pH 7; Temp: 25 ° C | (1) ACD |
| KOC | 4.24 | pH 8; Temp: 25 ° C | (1) ACD |
| KOC | 3.48 | pH 9; Temp: 25 ° C | (1) ACD |
| KOC | 1.28 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | -2.76 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | -1.92 | pH 2; Temp: 25 ° C | (1) ACD |
| logd | -1.46 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | -1.37 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | -1.36 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | -1.36 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | -1.36 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | -1.37 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | -1.45 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | -1.89 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | -1,359 ± 0,544 | Temp: 25 ° C | (1) ACD |
| Massiline lahustuvus | 1,1 g/L | Temp: 25 ° C | (1) ACD |
| Massiline lahustuvus | 27 g/L | Ph 1; Temp: 25 ° C | (1) ACD |
| Massiline lahustuvus | 3,9 g/L | pH 2; Temp: 25 ° C | (1) ACD |
| Massiline lahustuvus | 1,4 g/L | pH 3; Temp: 25 ° C | (1) ACD |
| Massiline lahustuvus | 1,1 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Omand | Väärtustama | Tingimus | Allikas |
| Massiline lahustuvus | 1,1 g/L | pH 5; Temp: 25 ° C | (1) ACD |
| Massiline lahustuvus | 1,1 g/L | pH 6; Temp: 25 ° C | (1) ACD |
| Massiline lahustuvus | 1,1 g/L | pH 7; Temp: 25 ° C | (1) ACD |
| Massiline lahustuvus | 1,1 g/L | pH 8; Temp: 25 ° C | (1) ACD |
| Massiline lahustuvus | 1,3 g/L | pH 9; Temp: 25 ° C | (1) ACD |
| Massiline lahustuvus | 3,6 g/L | pH 10; Temp: 25 ° C | (1) ACD |
| Massiline lahustuvus | 1,1 g/L | Puhverdamata vesi pH 6,17; Temp: 25 ° C | (1) ACD |
| Molaarne sisemine lahustuvus | 3,6 x 10-3 mol/L | Temp: 25 ° C | (1) ACD |
| Molaarne lahustuvus | 0,091 mol/L | Ph 1; Temp: 25 ° C | (1) ACD |
| Molaarne lahustuvus | 0,013 mol/L | pH 2; Temp: 25 ° C | (1) ACD |
| Molaarne lahustuvus | 4,6 x 10-3 mol/L | pH 3; Temp: 25 ° C | (1) ACD |
| Molaarne lahustuvus | 3,7 x 10-3 mol/L | pH 4; Temp: 25 ° C | (1) ACD |
| Molaarne lahustuvus | 3,7 x 10-3 mol/L | pH 5; Temp: 25 ° C | (1) ACD |
| Molaarne lahustuvus | 3,6 x 10-3 mol/L | pH 6; Temp: 25 ° C | (1) ACD |
| Molaarne lahustuvus | 3,7 x 10-3 mol/L | pH 7; Temp: 25 ° C | (1) ACD |
| Molaarne lahustuvus | 3,7 x 10-3 mol/L | pH 8; Temp: 25 ° C | (1) ACD |
| Molaarne lahustuvus | 4,5 x 10-3 mol/L | pH 9; Temp: 25 ° C | (1) ACD |
| Molaarne lahustuvus | 0,012 mol/L | pH 10; Temp: 25 ° C | (1) ACD |
| Molaarne lahustuvus | 3,6 x 10-3 mol/L | Puhverdamata vesi pH 6,17; Temp: 25 ° C | (1) ACD |
| Molekulmass | 297.27 | ||
| pka | 9,64 ± 0,20 | Kõige happelisem temp: 25 ° C | (1) ACD |
| pka | 2,42 ± 0,10 | Kõige põhilisem temp: 25 ° C | (1) ACD |
(1) Arvutatud Advanced Chemistry Development (ACD/Labs) tarkvara V11.02 (© 1994-2023 ACD/Labs)
| Omand | Väärtustama | Tingimus | Allikas |
| Tihedus | 1,98 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molaarmaht | 149,8 ± 7,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Arvutatud Advanced Chemistry Development (ACD/Labs) tarkvara V11.02 (© 1994-2023 ACD/Labs)
| Omand | Väärtustama | Tingimusallikas |
| Vabalt pööratavad võlakirjad | 5 | (1) ACD |
| Omand | Väärtustama | Tingimus | Allikas |
| H aktseptorid | 10 | (1) ACD | |
| H annetajad | 5 | (1) ACD | |
| H doonori/aktseptori summa | 15 | (1) ACD | |
| logp | -1,359 ± 0,544 | Temp: 25 ° C | (1) ACD |
| Molekulmass | 297.27 |
(1) Arvutatud Advanced Chemistry Development (ACD/Labs) tarkvara V11.02 (© 1994-2023 ACD/Labs)
| Omand | Väärtustama | Tingimusallikas |
| Polaarpind | 144 A2 | (1) ACD |
(1) Arvutatud Advanced Chemistry Development (ACD/Labs) tarkvara V11.02 (© 1994-2023 ACD/Labs)
Spektrid saadaval
1 h nmr
13 C nmr
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