C11H15N5O4 Adenosine, 2 '-O-metil- (7CI, 8CI, 9CI, ACI)
Nombor pendaftaran CAS
2140-79-6
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 281.27 | - |
| Titik lebur (eksperimen) | 204-206 ° C. | - |
| Titik mendidih (diramalkan) | 623.8 ± 65.0 ° C. | Tekan: 760 Torr |
| Ketumpatan (diramalkan) | 1.84 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 13.13 ± 0.70 | Tempatan yang paling berasid: 25 ° C |
Senyuman kanonik
OCC1OC (N2C = NC = 3C (= NC = NC32) N) C (OC) C1O
Tersenyum isomerik
O (c) [c@h] 1 [c@h] (n2c = 3c (n = c2) = c (n) n = cn3) o [c@h] (co) [c@h] 1o
Inchi
Inchi = 1S/C11H15N5O4/C1-19-8-7 (18) 5 (2-17) 20-11 (8) 16-4-15-6-9 (12) 13-3-14-10 (6) 16/H3-5,7-8,11,17-18H3 , 8-, 11-/m1/s1
Kunci Inchi
Fpugcisolxnppc-ioslpcccsa-n
2 nama lain untuk bahan ini
2 ' -O-Methyladenosine (ACI); Cordysinin b
Hartanah tersedia
Haba
| Harta | Nilai | Sumber keadaan |
| Titik lebur | 204-206 ° C. | (1) Cas |
(1) Martinez-Montero, Saul; Jurnal Eropah Kimia Organik, (2009) (19), 3265-3271, S3265/1-S3265/23, Caplus
Spektrum tersedia
1 h nmr
13 C NMR
IR
Massa
Hartanah tersedia
Biologi
Kimia
Ketumpatan
Lipinski
Struktur berkaitan
Haba
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.78 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.97 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.99 | pH 7; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.99 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1.99 | pH 9; Temp: 25 ° C. | (1) ACD |
| Sumber Keadaan Nilai Harta |
| Faktor BioconCentration 1.99 pH 10; Temp: 25 ° C (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Keadaan | Sumber |
| KOC | 1.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 1.0 | pH 2; Temp: 25 ° C. | (1) ACD |
| KOC | 4.54 | pH 3; Temp: 25 ° C. | (1) ACD |
| KOC | 26.0 | pH 4; Temp: 25 ° C. | (1) ACD |
| KOC | 51.0 | pH 5; Temp: 25 ° C. | (1) ACD |
| KOC | 56.4 | pH 6; Temp: 25 ° C. | (1) ACD |
| KOC | 57.0 | pH 7; Temp: 25 ° C. | (1) ACD |
| KOC | 57.1 | pH 8; Temp: 25 ° C. | (1) ACD |
| KOC | 57.1 | pH 9; Temp: 25 ° C. | (1) ACD |
| KOC | 57.0 | pH 10; Temp: 25 ° C. | (1) ACD |
| logd | -1.70 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | -1.25 | pH 2; Temp: 25 ° C. | (1) ACD |
| logd | -0.40 | pH 3; Temp: 25 ° C. | (1) ACD |
| logd | 0.36 | pH 4; Temp: 25 ° C. | (1) ACD |
| logd | 0.65 | pH 5; Temp: 25 ° C. | (1) ACD |
| logd | 0.69 | pH 6; Temp: 25 ° C. | (1) ACD |
| logd | 0.70 | pH 7; Temp: 25 ° C. | (1) ACD |
| logd | 0.70 | pH 8; Temp: 25 ° C. | (1) ACD |
| logd | 0.70 | pH 9; Temp: 25 ° C. | (1) ACD |
| logd | 0.70 | pH 10; Temp: 25 ° C. | (1) ACD |
| logp | 0.697 ± 0.596 | Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik massa | 3.7 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 886 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 309 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 45 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 7.9 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.9 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan Massa | 3.7 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 3.7 g/l | Air yang tidak disengajakan pH 8.07; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 0.013 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 3.15 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.10 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.16 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.028 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.014 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.013 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.013 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.013 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.013 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.013 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 0.013 mol/l | Air yang tidak disengajakan pH 8.07; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 281.27 | ||
| PKA | 13.13 ± 0.70 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | 3.82 ± 0.10 | Tempatan paling asas: 25 ° C | (1) ACD |
| Tekanan wap | 2.02 x 10-16 Torr | Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Keadaan | Sumber |
| Ketumpatan | 1.84 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 152.5 ± 7.0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber keadaan |
| Ikatan bebas berputar | 5 | (1) ACD |
| H penerima | 9 | (1) ACD |
| H penderma | 4 | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| H penderma/penerima jumlah | 13 | (1) ACD | |
| logp | 0.697 ± 0.596 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 281.27 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber keadaan |
| Kawasan permukaan kutub | 129 A2 | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Keadaan | Sumber |
| Titik mendidih | 623.8 ± 65.0 ° C. | Tekan: 760 Torr | (1) ACD |
| Entalpi pengewapan | 97.11 ± 3.0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik kilat | 331.0 ± 34.3 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1 h nmr
13 C NMR
| Kod | Penyata bahaya | Sumber |
| H303 | Mungkin berbahaya jika ditelan | Pakar yang dikendalikan |
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