C13H19N5O5 Adenosine, 2′ -O-(2-methoxyethyl)- (9CI, ACI)
Helu Kakau CAS
168427-74-5
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 325.32 | - |
| Lae paila (Wanamua) | 639.0±65.0 °C | Paʻi: 760 Torr |
| ʻAiʻa (Wanamua) | 1.70±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr |
| pKa (Wanamua) | 13.12±0.70 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
KAONIKA SMILES
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O
NĀ ʻAʻO ʻIsomeric
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3
InChI
InChI= 1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5- 16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3, (H2,14,15,16)/t7-,9-,10-,13-/ m1/s1
InChI Ki
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 inoa ʻē aʻe no kēia mea
2′ -O-(2-Methoxyethyl)adenosine (ACI)
Loaʻa ka Spectra
1 H NMR
13 C NMR
Loaʻa nā waiwai
olaola
Kemika
ʻO ka mānoanoa
Lipinski
Hoʻonohonoho pili
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 1.0 | pH 1;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 2;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 3;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 4;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.18 | pH 5;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.31 | pH 6;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.32 | pH 7;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.32 | pH 8;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.32 | pH 9;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.32 | pH 10;Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 1.0 | pH 1;Mahana: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2;Mahana: 25 °C | (1) ACD |
| Koc | 3.39 | pH 3;Mahana: 25 °C | (1) ACD |
| Koc | 19.4 | pH 4;Mahana: 25 °C | (1) ACD |
| Koc | 38.0 | pH 5;Mahana: 25 °C | (1) ACD |
| Koc | 42.0 | pH 6;Mahana: 25 °C | (1) ACD |
| Koc | 42.5 | pH 7;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 42.5 | pH 8;Mahana: 25 °C | (1) ACD |
| Koc | 42.5 | pH 9;Mahana: 25 °C | (1) ACD |
| Koc | 42.5 | pH 10;Mahana: 25 °C | (1) ACD |
| logD | -1.94 | pH 1;Mahana: 25 °C | (1) ACD |
| logD | -1.48 | pH 2;Mahana: 25 °C | (1) ACD |
| logD | -0.64 | pH 3;Mahana: 25 °C | (1) ACD |
| logD | 0.12 | pH 4;Mahana: 25 °C | (1) ACD |
| logD | 0.41 | pH 5;Mahana: 25 °C | (1) ACD |
| logD | 0.46 | pH 6;Mahana: 25 °C | (1) ACD |
| logD | 0.46 | pH 7;Mahana: 25 °C | (1) ACD |
| logD | 0.46 | pH 8;Mahana: 25 °C | (1) ACD |
| logD | 0.46 | pH 9;Mahana: 25 °C | (1) ACD |
| logD | 0.46 | pH 10;Mahana: 25 °C | (1) ACD |
| logP | 0.462±0.647 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 4.2 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 999 g/L | pH 1;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 381 g/L | pH 2;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 55 g/L | pH 3;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 9.4 g/L | pH 4;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.9 g/L | pH 5;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.2 g/L | pH 6;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.2 g/L | pH 7;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.2 g/L | pH 8;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.2 g/L | pH 9;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.2 g/L | pH 10;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.2 g/L | Wai hoʻopaʻa ʻole pH 8.08;Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 0.013 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.07 mol/L | pH 1;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.17 mol/L | pH 2;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.17 mol/L | pH 3;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.029 mol/L | pH 4;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.015 mol/L | pH 5;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Molar Solubility | 0.013 mol/L | pH 6;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.013 mol/L | pH 7;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.013 mol/L | pH 8;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.013 mol/L | pH 9;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.013 mol/L | pH 10;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.013 mol/L | Wai hoʻopaʻa ʻole pH 8.08;Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 325.32 | ||
| pKa | 13.12±0.70 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | ʻO ka mahana kumu loa: 25 °C | (1) ACD |
| ʻO ke kaomi mahu | 3.35 x 10-17 Torr | Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ka mānoanoa | 1.70±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 191.2±7.0 knm3/mol | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kūlana | Puna |
| Nā Paʻa Hoʻololi Kūʻokoʻa | 8 | (1) ACD | |
| H Ka poe e ae | 10 | (1) ACD | |
| H Kokua | 4 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 14 | (1) ACD | |
| logP | 0.462±0.647 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 325.32 |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kumu Kūlana |
| Wahi Polar | 138 A2 | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Waiwai | Waiwai | Kūlana | Puna |
| Lae paila | 639.0±65.0 °C | Paʻi: 760 Torr | (1) ACD |
| Enthalpy of Vaporization | 99.17±3.0 kJ/mol | Paʻi: 760 Torr | (1) ACD |
| Lae Flash | 340.2±34.3 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Loaʻa ka Spectra
1H NMR
13C NMR
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