C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)
Helu Kakau CAS
784-71-4
H228
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 246.19 | - |
| Lae hehee (Hoʻokolohua) | 149-150 °C | - |
| ʻAiʻa (Wanamua) | 1.63±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr |
| pKa (Wanamua) | 9.39±0.10 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
KAONIKA SMILES
O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2F
NĀ ʻAʻO ʻIsomeric
F[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C(=O)NC(=O)C=C2
InChI
InChI= 1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4, 6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
InChI Ki
UIYWFOZZIZEEKJ-XVFCMESISA-N
4 Nā inoa ʻē aʻe no kēia mea
2′ -Deoxy-2′ -fluorouridine (ACI);1-(2-Deoxy-2-fluoro- β -D-ribofuranosyl)uracil;2′ -Fluoro-2′ -deoxyuridine;2′ -Fluoro-uridine
Loaʻa nā waiwai
Optical a Scattering
Māmā
| Waiwai | Waiwai | Kūlana | Puna |
| Mana Rotatory Optical | +52 deg | Solvent: Wai;λ: 589.3 nm;Maha: 20 °C | (1) CAS |
(1) Codington, John F.;Nūpepa o ka American Chemical Society, (1961), 83, 5030-1, CAplus
| Waiwai | Waiwai | Kumu Kūlana |
| Lae hehee | 149-150 °C | (1) IC |
| Lae hehee | E nana i ke kikokikona piha | (2) CAS |
| Lae hehee | E nana i ke kikokikona piha | (3) IC |
(1) Mercer, John R.;Nūpepa o ka Lapaʻau Kemika, (1989), 32(6), 1289-94, CAplus
(2) Codington, John F.;Nūpepa o ka American Chemical Society, (1961), 83, 5030-1, CAplus
(3) Van Aerschot, A.;Bulletin des Societes Chimiques Belges, (1989), 98(12), 937-41, CAplus
Loaʻa ka Spectra
1 H NMR
13 C NMR
Hetero NMR
IR
Mass
Ramana
UV a ʻIke ʻia
Loaʻa nā waiwai
olaola
Kemika
ʻO ka mānoanoa
Lipinski
Hoʻonohonoho pili
| 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 | 1.0 | pH 5;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 6;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 7;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 8;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 9;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | 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 | 12.1 | pH 1;Mahana: 25 °C | (1) ACD |
| Koc | 12.1 | pH 2;Mahana: 25 °C | (1) ACD |
| Koc | 12.1 | pH 3;Mahana: 25 °C | (1) ACD |
| Koc | 12.1 | pH 4;Mahana: 25 °C | (1) ACD |
| Koc | 12.1 | pH 5;Mahana: 25 °C | (1) ACD |
| Koc | 12.1 | pH 6;Mahana: 25 °C | (1) ACD |
| Koc | 12.1 | pH 7;Mahana: 25 °C | (1) ACD |
| Koc | 11.6 | pH 8;Mahana: 25 °C | (1) ACD |
| Koc | 8.45 | pH 9;Mahana: 25 °C | (1) ACD |
| Koc | 2.33 | pH 10;Mahana: 25 °C | (1) ACD |
| logD | -0.54 | pH 1;Mahana: 25 °C | (1) ACD |
| logD | -0.54 | pH 2;Mahana: 25 °C | (1) ACD |
| logD | -0.54 | pH 3;Mahana: 25 °C | (1) ACD |
| logD | -0.54 | pH 4;Mahana: 25 °C | (1) ACD |
| logD | -0.54 | pH 5;Mahana: 25 °C | (1) ACD |
| logD | -0.54 | pH 6;Mahana: 25 °C | (1) ACD |
| logD | -0.54 | pH 7;Mahana: 25 °C | (1) ACD |
| logD | -0.56 | pH 8;Mahana: 25 °C | (1) ACD |
| logD | -0.70 | pH 9;Mahana: 25 °C | (1) ACD |
| logD | -1.25 | pH 10;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| logP | -0.538±0.456 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 4.9 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.9 g/L | pH 1;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.9 g/L | pH 2;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.9 g/L | pH 3;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.9 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 | 4.9 g/L | pH 6;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.9 g/L | pH 7;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.2 g/L | pH 8;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 6.9 g/L | pH 9;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 25 g/L | pH 10;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 4.9 g/L | Wai hoʻopaʻa ʻole pH 5.53;Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 0.020 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.020 mol/L | pH 1;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.020 mol/L | pH 2;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.020 mol/L | pH 3;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.020 mol/L | pH 4;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.020 mol/L | pH 5;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.020 mol/L | pH 6;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.020 mol/L | pH 7;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.021 mol/L | pH 8;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.028 mol/L | pH 9;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.10 mol/L | pH 10;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.020 mol/L | Wai hoʻopaʻa ʻole pH 5.53;Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 246.19 | ||
| pKa | 9.39±0.10 | ʻO ka Mahaʻawaʻawa loa: 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 | 1.63±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 150.8±5.0 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 | 4 | (1) ACD | |
| H Ka poe e ae | 7 | (1) ACD | |
| H Kokua | 3 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 10 | (1) ACD | |
| logP | -0.538±0.456 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 246.19 |
(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 | 99.1 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)
Loaʻa ka Spectra
1 H NMR
13 C NMR
| Kumu Hōʻike Hazard Code | |
| H228 Paʻa paʻa ʻā | Hoʻokaʻawale ʻia a me ka hoʻopaʻa inoa ʻana o ka European Chemical Agency (ECHA). Inventory - Hoʻolaha ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha maʻamau, European Chemical Agency (ECHA) Hoʻokaʻawale a me ka Lepili ʻana - Hoʻolaha ʻia a me ka hoʻopaʻa inoa ʻana - nā hoʻolaha koʻikoʻi loa |
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