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![C17H19N3O6 Timitini, α -oxo- α -[(phenylmethyl)amino]- (ACI) Ata Fa'aalia](https://www.csnvchem.com/uploads/C17H19N3O6-Thymidine.png)
C17H19N3O6 Timitini, α -oxo- α -[(phenylmethyl)amino]- (ACI)
Numera Resitala CAS
944268-75-1
| Meatotino Faaletino Autu | Taua | Tulaga |
| Molecular Weight | 361.35 | - |
| To'atele (Va'ai) | 1.459±0.06 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr |
| pKa (vala'aina) | 8.27±0.10 | Le Tele o le Asi Sua: 25 °C |
ATA'ITA'I Canonical
O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(CO)C(O)C3
Isomeric SMILES
O=C1N([C@@H]2O[C@H](CO)[C@@H](O)C2)C=C(C(NCC3=CC=CC=C3)=O)C(= O)N1
InChI
InChI= 1S/C17H19N3O6/c21-9-13-12(22)6-14(26-13)20-8-11(16(24)19-17 (20)25)15(23)18-7-10-4-2-1-3-5-10/h1-5,8,12-14,21-22H,6-7,9 H2,(H,18,23)(H,19,24,25)/t12-,13+,14+/m0/s1
InChI Ki
VBRYAGCUEXFMKM-BFHYXJOUSA-N
3 Isi Igoa mo lea Mea
α -Oxo-α -[(phenylmethyl)amino]thymidine (ACI); (BndU); 7: PN: WO2020081510 SEQID: 7 fa'asologa fa'asologa
Meatotino avanoa
Biological
Kemisi
Malosi
Lipinski
Fauga Faatatau
| Meatotino | Taua | Tulaga | Punavai |
| Bioconcentration Factor | 1.0 | pH 1; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 2; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 3; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 4; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 5; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 6; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 7; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 8; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 9; Maalili: 25 °C | (1) ACD |
| Bioconcentration Factor | 1.0 | pH 10; Maalili: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
| Punaoa Tulaga Tau Meatotino |
| Koc 18.3 pH 1; Maalili: 25 °C (1) ACD |
| Koc 18.3 pH 2; Maalili: 25 °C (1) ACD |
| Koc 18.3 pH 3; Maalili: 25 °C (1) ACD |
| Koc 18.3 pH 4; Maalili: 25 °C (1) ACD |
| Koc 18.3 pH 5; Maalili: 25 °C (1) ACD |
| Koc 18.1 pH 6; Maalili: 25 °C (1) ACD |
| Koc 16.4 pH 7; Maalili: 25 °C (1) ACD |
| Koc 8.56 pH 8; Maalili: 25 °C (1) ACD |
| Koc 1.62 pH 9; Maalili: 25 °C (1) ACD |
| Koc 1.0 pH 10; Maalili: 25 °C (1) ACD |
| logD -0.21 pH 1; Maalili: 25 °C (1) ACD |
| logD -0.21 pH 2; Maalili: 25 °C (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| ogalaauD | -0.21 | pH 3; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.21 | pH 4; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.21 | pH 5; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.22 | pH 6; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.26 | pH 7; Maalili: 25 °C | (1) ACD |
| ogalaauD | -0.54 | pH 8; Maalili: 25 °C | (1) ACD |
| ogalaauD | -1.26 | pH 9; Maalili: 25 °C | (1) ACD |
| ogalaauD | -1.95 | pH 10; Maalili: 25 °C | (1) ACD |
| logP | -0.212±0.585 | Maalili: 25 °C | (1) ACD |
| Mass Intrinsic Solubility | 0.13 g/L | Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.13 g/L | pH 1; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.13 g/L | pH 2; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.13 g/L | pH 3; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.13 g/L | pH 4; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.13 g/L | pH 5; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.14 g/L | pH 6; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.15 g/L | pH 7; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.29 g/L | pH 8; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 1.5 g/L | pH 9; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 7.2 g/L | pH 10; Maalili: 25 °C | (1) ACD |
| Mass Solubility | 0.14 g/L | Suavai e le fa'afefe pH 5.68; Maalili: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 3.7 x 10-4 mol/L | Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol/L | pH 1; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol/L | pH 2; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol/L | pH 3; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol/L | pH 4; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol/L | pH 5; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 3.8 x 10-4 mol/L | pH 6; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 4.2 x 10-4 mol/L | pH 7; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 8.0 x 10-4 mol/L | pH 8; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 4.2 x 10-3 mol/L | pH 9; Maalili: 25 °C | (1) ACD |
| Molar Solubility | 0.020 mol/L | pH 10; Maalili: 25 °C | (1) ACD |
| Meatotino | Taua | Tulaga | Punavai |
| Molar Solubility | 3.8 x 10-4 mol/L | Suavai e le fa'afefe pH 5.68; Maalili: 25 °C | (1) ACD |
| Molecular Weight | 361.35 | ||
| pKa | 8.27±0.10 | Le Tele o le Asi Sua: 25 °C | (1) ACD |
| pKa | -1.66±0.20 | Tele Su'esu'ega Autu: 25 °C | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
| Meatotino | Taua | Tulaga | Punavai |
| Malosi | 1.459±0.06 g/cm3 | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
| Molar Volume | 247.5±3.0 cm3/mol | Maalili: 20 °C; Lomitusi: 760 Torr | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
| Meatotino | Taua | Tulaga | Punavai |
| Noanoaga e mafai ona fesuia'i saoloto | 7 | (1) ACD | |
| H Tagata talia | 9 | (1) ACD | |
| H Donors | 4 | (1) ACD | |
| H Fa'ameaalofa/Tagata Talia | 13 | (1) ACD | |
| logP | -0.212±0.585 | Maalili: 25 °C | (1) ACD |
| Molecular Weight | 361.35 |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
| Meatotino | Taua | Tulaga Punavai |
| Polar Surface Area | 128 A2 | (1) ACD |
(1) Fa'atatau i le fa'aaogaina o le Atina'eina o Kemisi Maualuga (ACD/Labs) Polokalama V11.02 (© 1994-2023 ACD/Labs)
Spectra avanoa
1 H NMR
13 C NMR
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