C11H15N5O4 Adenosine, 2 ′ -O-metil- (7ci, 8ci, 9ci, ACI)
Nomor Registri CAS
2140-79-6
| Sifat fisik utama | Nilai | Kondisi |
| Berat molekul | 281.27 | - |
| Leluh Titik (Eksperimental) | 204-206 ° C. | - |
| Titik didih (diprediksi) | 623,8 ± 65,0 ° C. | Tekan: 760 Torr |
| Kepadatan (diprediksi) | 1,84 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| pKa (diprediksi) | 13.13 ± 0,70 | Sebagian besar suhu asam: 25 ° C |
Senyum kanonik
OCC1OC (N2C = NC = 3C (= NC = NC32) N) C (OC) C1O
Senyum isomer
O (c) [c@h] 1 [c@h] (n2c = 3c (n = c2) = c (n) n = cn3) o [c@h] (co) [c@h] 1o
Inci
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/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- , 8-, 11-/m1/s1
Kunci Inchi
Fpugcisolxnppc-ioslpcccsa-n
2 nama lain untuk zat ini
2 ′ -O-Methyladenosine (ACI); Cordysinin b
Properti tersedia
Panas
| Milik | Nilai | Sumber Kondisi |
| Titik lebur | 204-206 ° C. | (1) Cas |
(1) Martinez-Montero, Saul; Jurnal Eropa Kimia Organik, (2009) (19), 3265-3271, S3265/1-S3265/23, Caplus
Spektrum tersedia
1 h nmr
13 C NMR
IR
Massa
Properti tersedia
Biologis
Kimia
Kepadatan
Lipinski
Terkait struktur
Panas
| Milik | Nilai | Kondisi | 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 Kondisi Nilai Properti |
| Faktor Biokonsentrasi 1.99 pH 10; Temp: 25 ° C (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | 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 massal | 886 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 309 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 45 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 7.9 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.9 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.7 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.7 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| Kelarutan massal | 3.7 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.7 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.7 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan massal | 3.7 g/l | Air PH 8.07 yang tidak terikat; 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 PH 8.07 yang tidak terikat; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 281.27 | ||
| PKA | 13.13 ± 0,70 | Sebagian besar suhu asam: 25 ° C | (1) ACD |
| PKA | 3,82 ± 0,10 | Paling Basa Temp: 25 ° C | (1) ACD |
| Tekanan uap | 2.02 x 10-16 torr | Temp: 25 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | Sumber |
| Kepadatan | 1,84 ± 0,1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Volume molar | 152,5 ± 7,0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Sumber Kondisi |
| Ikatan yang dapat diputar secara bebas | 5 | (1) ACD |
| H akseptor | 9 | (1) ACD |
| H donor | 4 | (1) ACD |
| Milik | Nilai | Kondisi | Sumber |
| H donor/jumlah akseptor | 13 | (1) ACD | |
| logp | 0,697 ± 0,596 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 281.27 |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Sumber Kondisi |
| Area Permukaan Kutub | 129 A2 | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
| Milik | Nilai | Kondisi | Sumber |
| Titik didih | 623,8 ± 65,0 ° C. | Tekan: 760 Torr | (1) ACD |
| Entalpi penguapan | 97.11 ± 3,0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik nyala | 331.0 ± 34,3 ° C. | (1) ACD |
(1) Dihitung menggunakan perangkat lunak pengembangan kimia canggih (ACD/LABS) V11.02 (© 1994-2023 ACD/LABS)
Spektrum tersedia
1 h nmr
13 C NMR
| Kode | Pernyataan Bahaya | Sumber |
| H303 | Mungkin berbahaya jika tertelan | Ahli dikuratori |
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