C9H11FN2O5 Uridine, 2′ -deoxy-2′ -fluoro- (7CI, 8CI, 9CI, ACI)
Nọmba ndekọ CAS
784-71-4
H228
| Njirimara anụ ahụ igodo | Uru | Ọnọdụ |
| Ibu molekụla | 246.19 | - |
| Ebe mgbaze (nnwale) | 149-150 Celsius C | - |
| Njupụta (buru amụma) | 1.63±0.1 g/cm3 | Okpomọkụ: 20 °C;Pịa: 760 Torr |
| pKa (buru amụma) | 9.39±0.10 | Okpomọkụ kachasị acidic: 25 Celsius |
Ọchịchị Canonical
O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2F
Isomeric SMILES
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 Igodo
UIYWFOZZIZEEEKJ-XVFCMESISA-N
4 Aha ndị ọzọ maka ihe a
2 '-Deoxy-2'-fluorouridine (ACI);1- (2-Deoxy-2-fluoro- β-D-ribofuranosyl) uracil;2 '-Fluoro-2' -deoxyuridine;2 '-Fluoro-uridine
Ngwongwo dị
Optical na agbasasị
Thermal
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ike ntụgharị anya | + 52 nkeji | Ihe mgbaze: Mmiri;λ: 589.3 nm;Okpomọkụ: 20 Celsius C | (1) CAS |
(1) Codington, John F.;Akwụkwọ akụkọ nke American Chemical Society, (1961), 83, 5030-1, CAplus
| Ngwongwo | Uru | Isi mmalite ọnọdụ |
| Ebe Na-agbaze | 149-150 Celsius C | (1) IC |
| Ebe Na-agbaze | Lee ederede zuru oke | (2) CAS |
| Ebe Na-agbaze | Lee ederede zuru oke | (3) IC |
(1) Mercer, John R.;Akwụkwọ akụkọ Chemistry Medicinal, (1989), 32 (6), 1289-94, CAplus
(2) Codington, John F.;Akwụkwọ akụkọ nke American Chemical Society, (1961), 83, 5030-1, CAplus
(3) Van Aerschot, A.;Bulletin des Societes Chimiques Belges, (1989), 98 (12), 937-41, CAplus
Spectra dị
1H NMR
13C NMR
Hetero NMR
IR
Mass
Raman
UV na anya
Ngwongwo dị
Usoro ndu
Chemical
Njupụta
Lipinski
Ọdịdị metụtara
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Ihe kpatara bioconcentration | 1.0 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ihe kpatara bioconcentration | 1.0 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Koc | 12.1 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 12.1 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 12.1 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 12.1 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 12.1 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 12.1 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 12.1 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 11.6 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 8.45 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Koc | 2.33 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.54 | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.54 | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.54 | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.54 | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.54 | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.54 | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.54 | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.56 | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -0.70 | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| logD | -1.25 | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| logP | -0.538± 0.456 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ọkachamara Solubility dị n'ime | 4.9 g/L | Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.9 g/L | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.9 g/L | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.9 g/L | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.9 g/L | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.9 g/L | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.9 g/L | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.9 g/L | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 5.2 g/L | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 6.9 g/L | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 25 g/L | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Uka Solubility | 4.9 g/L | Mmiri na-enweghị atụ pH 5.53;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility dị n'ime Molar | 0.020 mol / l | Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.020 mol / l | pH 1;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.020 mol / l | pH 2;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.020 mol / l | pH 3;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.020 mol / l | pH 4;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.020 mol / l | pH 5;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.020 mol / l | pH 6;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.020 mol / l | pH 7;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.021 mol / l | pH 8;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.028 mol / l | pH 9;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.10 mol / l | pH 10;Okpomọkụ: 25 Celsius C | (1) ACD |
| Solubility Molar | 0.020 mol / l | Mmiri na-enweghị atụ pH 5.53;Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 246.19 | ||
| pKa | 9.39±0.10 | Okpomọkụ kachasị acidic: 25 Celsius | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Njupụta | 1.63±0.1 g/cm3 | Okpomọkụ: 20 °C;Pịa: 760 Torr | (1) ACD |
| Olu Molar | 150.8± 5.0 cm3 / mol | Okpomọkụ: 20 °C;Pịa: 760 Torr | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Ọnọdụ | Isi mmalite |
| Nkwekọrịta na-agbanwe agbanwe n'efu | 4 | (1) ACD | |
| H Ndị nnabata | 7 | (1) ACD | |
| H Ndị na-enye onyinye | 3 | (1) ACD | |
| H Donor/Anabata Nchikota | 10 | (1) ACD | |
| logP | -0.538± 0.456 | Okpomọkụ: 25 Celsius C | (1) ACD |
| Ibu molekụla | 246.19 |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ngwongwo | Uru | Isi mmalite ọnọdụ |
| Mpaghara elu elu | 99.1 A2 | (1) ACD |
(1) Gbakọọ site na iji Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra dị
1H NMR
13C NMR
| Isi mmalite nkwupụta egwu koodu | |
| H228 ọkụ siri ike | European Chemical Agency (ECHA) nhazi ọkwa na akara aha Ndepụta Ngwaahịa - Nhazi ọkwa na ntinye aha - ọkwa kachasị, European Chemical Agency (ECHA) Nhazi&Ngwakọta aha - Nhazi ọkwa na ntinye aha - ọkwa kacha njọ |
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