C13H19N5O6 Guanosin, 2′-O-(2-metoxyethyl)- (9CI, ACI)
Nomer pendaptaran CAS
473278-54-5
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 341.32 | - |
| Titik didih (diprediksi) | 715,0±70,0 °C | Pencét: 760 Torr |
| Kapadetan (diprediksi) | 1,81±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr |
| pKa (diprediksi) | 13.20±0.70 | Suhu Paling Asam: 25 °C |
SMILES Canonical
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomerik SMILES
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C3=C(N=C2)C(=O)N=C( N) N3
InChI
InChI= 1S/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7- 10(18)16-13(14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3, 14,16,17,21)/t6-,8-,9-,12-/m1/s1
InChI Key
DLLBJSLIKOKFHE-WOUKDFQISA-N
1 Ngaran séjén pikeun Zat ieu
2'-O-(2-Methoxyethyl)guanosine (ACI)
Pasipatan sadia
Optik jeung Paburencay
Termal
| Harta | Nilai | kaayaan | Sumber |
| Daya Rotatory optik | -51 deg-mL/g-dm | c: 1,4 g / 100ml; Pangleyur: Diklorometana; λ: 589,3 nm; Suhu: 25 °C | (1) CAS |
| Daya Rotatory optik | Tempo téks lengkep | (2) CAS |
(1) Wen, Ke; Jurnal Kimia Organik, (2002), 67(22), 7887-7889, CAplus
(2) Wen, Ke; Jurnal Kimia Organik, (2002), 67(22), 7887-7889, CAplus
| Harta | Nilai | Sumber Kaayaan |
| Titik lebur | Tempo téks lengkep | (1) CAS |
(1) Taj, Shabbir Ali S.; Nukléosida, Nukléotida & Asam Nukléat, (2008), 27(9), 1024-1033, CAplus
Spéktra sadia
1 H NMR
13 C NMR
IR
Pasipatan sadia
Biologis
Kimia
Kapadetan
Lipinski
Struktur Patali
Termal
| 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 |
| Harta | Nilai | kaayaan | Sumber |
| Faktor Biokonsentrasi | 1.0 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1.0 | pH 6; Suhu: 25 °C | (1) ACD |
| 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 | 1.0 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 4.27 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 8.49 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 9.43 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 9.54 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 9.55 | pH 7; Suhu: 25 °C | (1) ACD |
| Koc | 9.55 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 9.55 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 9.54 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | -2.65 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | -1.84 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | -1.08 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | -0.78 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | -0.74 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | -0.73 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | -0.73 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | -0.73 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | -0.73 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | -0.73 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | -0,730±0,568 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 0,44 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 38 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 5,5 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Massa kaleyuran | 0,96 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,48 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,44 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,44 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,44 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,44 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,44 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,44 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 0,44 g/L | Cai Unbuffered pH 7,20; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 1,3 x 10-3 mol / L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 0,11 mol / L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 0,016 mol / L | pH 2; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 2,8 x 10-3 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,4 x 10-3 mol / L | pH 4; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,3 x 10-3 mol / L | pH 5; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,3 x 10-3 mol / L | pH 6; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,3 x 10-3 mol / L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,3 x 10-3 mol / L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,3 x 10-3 mol / L | pH 9; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,3 x 10-3 mol / L | pH 10; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,3 x 10-3 mol / L | Cai Unbuffered pH 7,20; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 341.32 | ||
| pKa | 13.20±0.70 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 3.00±0.20 | Suhu Dasar: 25 °C | (1) ACD |
| Tekanan uap | 1,86 x 10-21 Torr | Suhu: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | kaayaan | Sumber |
| Kapadetan | 1,81±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
| Volume Molar | 188,5±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 | kaayaan | Sumber |
| Bébas Rotatable Beungkeut | 8 | (1) ACD | |
| H Akséptor | 11 | (1) ACD | |
| H Donor | 5 | (1) ACD | |
| H Donor / Akséptor Jumlah | 16 | (1) ACD | |
| logP | -0,730±0,568 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 341.32 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | Sumber Kaayaan |
| Wewengkon Permukaan Polar | 153 A2 | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Harta | Nilai | kaayaan | Sumber |
| Titik didih | 715,0±70,0 °C | Pencét: 760 Torr | (1) ACD |
| Éntalpi Nguap | 109,72±3,0 kJ/mol | Pencét: 760 Torr | (1) ACD |
| Titik kaingetan | 386,2±35,7 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spéktra sadia
1H NMR
13C NMR
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