C9H11FN2O5 Uridín, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)
Uimhir Chláraithe CAS
784-71-4
H228
| Príomh-Airíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 246.19 | - |
| Leáphointe (Turgnamhach) | 149-150 °C | - |
| Dlús (Tuartha) | 1.63±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr |
| pKa (Tuartha) | 9.39±0.10 | Teocht is Airde: 25 °C |
SMILES Canonical
O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2F
SMILES Isiméireacha
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
Eochair InChI
UIYWFOZZIZEEKJ-XVFCMESISA-N
4 Ainmneacha Eile don tSubstaint seo
2′ -Deoxy-2′ -fluarairidine (ACI); 1-(2-Deoxy-2-fluoro- β -D-ribofuranosil)uracil; 2′ -Fluara-2′ -deocsaiuridine; 2′ -Fluara-úirín
Airíonna ar fáil
Optúil agus Scaipthe
Teirmeach
| Maoin | Luach | Coinníoll | Foinse |
| Cumhacht Rothlach Optúil | +52 deg | Tuaslagóir: Uisce; λ: 589.3 nm; Teocht: 20 °C | (1) CAS |
(1) Codington, Seán F.; Iris an Chumainn Cheimiceach Mheiriceá, (1961), 83, 5030-1, CAPlus
| Maoin | Luach | Foinse Coinníoll |
| Leáphointe | 149-150 °C | (1) IC |
| Leáphointe | Féach Téacs Iomlán | (2) CAS |
| Leáphointe | Féach Téacs Iomlán | (3) IC |
(1) Mercer, John R.; Iris na Ceimice Íocshláinte, (1989), 32(6), 1289-94, CAplus
(2) Codington, Seán F.; Iris an Chumainn Cheimiceach Mheiriceá, (1961), 83, 5030-1, CAPlus
(3) Van Aerschot, A.; Bulletin des Societes Chimiques Belges, (1989), 98(12), 937-41, CAplus
Spectra ar fáil
1 H NMR
13 C NMR
Hetero NMR
IR
Aifreann
Raman
UV agus Infheicthe
Airíonna ar fáil
Bitheolaíoch
Ceimiceach
Dlús
Lipinski
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bithtiúchana | 1.0 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 9; Teocht: 25 °C | (1) ACD |
| Fachtóir Bithtiúchana | 1.0 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Cóc | 12.1 | pH 1; Teocht: 25 °C | (1) ACD |
| Cóc | 12.1 | pH 2; Teocht: 25 °C | (1) ACD |
| Cóc | 12.1 | pH 3; Teocht: 25 °C | (1) ACD |
| Cóc | 12.1 | pH 4; Teocht: 25 °C | (1) ACD |
| Cóc | 12.1 | pH 5; Teocht: 25 °C | (1) ACD |
| Cóc | 12.1 | pH 6; Teocht: 25 °C | (1) ACD |
| Cóc | 12.1 | pH 7; Teocht: 25 °C | (1) ACD |
| Cóc | 11.6 | pH 8; Teocht: 25 °C | (1) ACD |
| Cóc | 8.45 | pH 9; Teocht: 25 °C | (1) ACD |
| Cóc | 2.33 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | -0.54 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | -0.54 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | -0.54 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | -0.54 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | -0.54 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | -0.54 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | -0.54 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | -0.56 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | -0.70 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | -1.25 | pH 10; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| logP | -0.538±0.456 | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Aifrinn | 4.9 g/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.9 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.9 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.9 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.9 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.9 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.9 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.9 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 5.2 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 6.9 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 25 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Aifreann | 4.9 g/L | Uisce Neamh-mhaolaithe pH 5.53; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Intreach Molar | 0.020 mol/L | Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.020 mol/L | pH 1; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.020 mol/L | pH 2; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.020 mol/L | pH 3; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.020 mol/L | pH 4; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.020 mol/L | pH 5; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.020 mol/L | pH 6; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.020 mol/L | pH 7; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.021 mol/L | pH 8; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.028 mol/L | pH 9; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.10 mol/L | pH 10; Teocht: 25 °C | (1) ACD |
| Tuaslagthacht Molar | 0.020 mol/L | Uisce Neamh-mhaolaithe pH 5.53; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 246.19 | ||
| pKa | 9.39±0.10 | Teocht is Airde: 25 °C | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.63±0.1 g/cm3 | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
| Toirt Molar | 150.8±5.0 cm3/mól | Teocht: 20 °C; Brúigh: 760 Torr | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 4 | (1) ACD | |
| H Glacadóirí | 7 | (1) ACD | |
| H Deontóirí | 3 | (1) ACD | |
| H Suim Deontóra/Ghlacadóir | 10 | (1) ACD | |
| logP | -0.538±0.456 | Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 246.19 |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Maoin | Luach | Foinse Coinníoll |
| Achar Dromchla Polar | 99.1 A2 | (1) ACD |
(1) Arna ríomh ag baint úsáide as Bogearraí Ardfhorbartha Ceimice (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra ar fáil
1 H NMR
13 C NMR
| Foinse Ráitis Ghuaise Cód | |
| H228 Soladach inadhainte | An Ghníomhaireacht Eorpach Ceimiceán (ECHA) Aicmiú agus Lipéadú Fardal - Aicmiú agus lipéadú ar tugadh fógra ina leith - na fógraí is coitianta, An Ghníomhaireacht Eorpach Ceimiceán (ECHA) Fardal Aicmithe&Lipéadaithe - Aicmiú agus lipéadú fógartha - na fógraí is tromchúisí |
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