C11H15N5O5 Guanosin, 2′-O-métil- (7CI, 8CI, 9CI, ACI)
Nomer pendaptaran CAS
2140-71-8
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 297.27 | - |
| Titik Lebur (Percobaan) | 233-235 °C | Pangleyur: Métanol |
| Kapadetan (diprediksi) | 1,98±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr |
| pKa (diprediksi) | 9,64±0,20 | Suhu Paling Asam: 25 °C |
SMILES Canonical
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Isomerik SMILES
O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(N)N3)O[C@H](CO)[C@H ]1O
InChI
InChI= 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/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19) /t4-,6-,7-,10-/m1/s1
InChI Key
OVYNGSFVYRPRCG-KQYNXXCUSA-N
1 Ngaran séjén pikeun Zat ieu
2'-O-Metilguanosin (ACI)
Pasipatan sadia
Kimia
Termal
| Harta | Kaayaan Nilai | Sumber |
| pKa | 9.5 | (1) CAS |
(1) Bhamra, Inder; Panalungtikan Asam Nukléat,
| Harta | Nilai | kaayaan | Sumber |
| Titik lebur | 233-235 °C | Pangleyur: Métanol | (1) CAS |
(1) Koré, Anilkumar R.; Nukléosida, Nukléotida & Asam Nukléat,
Spéktra sadia
1 H NMR
13 C NMR
Massa
Pasipatan sadia
Biologis
Kimia
Kapadetan
Lipinski
Struktur Patali
| Harta | Nilai | kaayaan | Sumber |
| Faktor Biokonsentrasi | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 6; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Faktor Biokonsentrasi | 1.0 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | kaayaan | Sumber |
| Koc | 1.0 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 1.19 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 3.42 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 4.23 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 4.33 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 4.34 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 4.33 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 4.24 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 3.48 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 1.28 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | -2.76 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | -1.92 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | -1.46 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | -1.37 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | -1.36 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | -1.36 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | -1.36 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | -1.37 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | -1.45 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | -1.89 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | -1.359±0.544 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 1,1 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 27 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,9 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,4 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,1 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Massa kaleyuran | 1,1 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,1 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,1 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,1 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,3 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,6 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 1,1 g/L | Cai Unbuffered pH 6,17; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 3,6 x 10-3 mol/L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 0,091 mol / L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 0,013 mol / L | pH 2; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,6 x 10-3 mol / L | pH 3; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,7 x 10-3 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,7 x 10-3 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,6 x 10-3 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,7 x 10-3 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,7 x 10-3 mol/L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,5 x 10-3 mol / L | pH 9; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 0,012 mol / L | pH 10; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,6 x 10-3 mol/L | Cai Unbuffered pH 6,17; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 297.27 | ||
| pKa | 9,64±0,20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 2.42±0.10 | Suhu Dasar: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | kaayaan | Sumber |
| Kapadetan | 1,98±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
| Volume Molar | 149,8±7,0 cm3/mol | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber Kaayaan |
| Bébas Rotatable Beungkeut | 5 | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| H Akséptor | 10 | (1) ACD | |
| H Donor | 5 | (1) ACD | |
| H Donor / Akséptor Jumlah | 15 | (1) ACD | |
| logP | -1.359±0.544 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 297.27 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber Kaayaan |
| Wewengkon Permukaan Polar | 144 A2 | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spéktra sadia
1 H NMR
13 C NMR
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