![C17H19N3O6 Timidina, α -oxo- α -[(phenylmethyl)amino]- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C17H19N3O6 Timidina, α -oxo- α -[(phenylmethyl)amino]- (ACI) Kiʻi Hōʻikeʻike](https://www.csnvchem.com/uploads/C17H19N3O6-Thymidine.png)
C17H19N3O6 Timidina, α -oxo- α -[(phenylmethyl)amino]- (ACI)
Helu Kakau CAS
944268-75-1
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 361.35 | - |
| ʻO ka mānoanoa (Wanamua) | 1.459±0.06 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr |
| pKa (Wanamua) | 8.27±0.10 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
KAONIKA SMILES
O=C1NC(=O)N(C=C1C(=O)NCC=2C=CC=CC2)C3OC(CO)C(O)C3
NĀ ʻAʻO ʻIsomeric
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 Nā inoa ʻē aʻe no kēia mea
α -Oxo-α -[(phenylmethyl)amino]thymidine (ACI); (BndU); 7: PN: WO2020081510 SEQID: 7 kaʻina i koi ʻia
Loaʻa nā waiwai
olaola
Kemika
ʻO ka mānoanoa
Lipinski
Kapili Pili
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 1.0 | pH 1; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 2; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 3; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 4; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 5; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 6; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 7; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 8; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 9; Ka mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.0 | pH 10; Ka 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)
| Kumuwai Kūlana Waiwai |
| Koc 18.3 pH 1; Mahana: 25 °C (1) ACD |
| Koc 18.3 pH 2; Mahana: 25 °C (1) ACD |
| Koc 18.3 pH 3; Mahana: 25 °C (1) ACD |
| Koc 18.3 pH 4; Mahana: 25 °C (1) ACD |
| Koc 18.3 pH 5; Mahana: 25 °C (1) ACD |
| Koc 18.1 pH 6; Mahana: 25 °C (1) ACD |
| Koc 16.4 pH 7; Mahana: 25 °C (1) ACD |
| Koc 8.56 pH 8; Mahana: 25 °C (1) ACD |
| Koc 1.62 pH 9; Mahana: 25 °C (1) ACD |
| Koc 1.0 pH 10; Mahana: 25 °C (1) ACD |
| logD -0.21 pH 1; Mahana: 25 °C (1) ACD |
| logD -0.21 pH 2; Mahana: 25 °C (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| logD | -0.21 | pH 3; Ka mahana: 25 °C | (1) ACD |
| logD | -0.21 | pH 4; Ka mahana: 25 °C | (1) ACD |
| logD | -0.21 | pH 5; Ka mahana: 25 °C | (1) ACD |
| logD | -0.22 | pH 6; Ka mahana: 25 °C | (1) ACD |
| logD | -0.26 | pH 7; Ka mahana: 25 °C | (1) ACD |
| logD | -0.54 | pH 8; Ka mahana: 25 °C | (1) ACD |
| logD | -1.26 | pH 9; Ka mahana: 25 °C | (1) ACD |
| logD | -1.95 | pH 10; Ka mahana: 25 °C | (1) ACD |
| logP | -0.212±0.585 | Ka mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 0.13 g/L | Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.13 g/L | pH 1; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.13 g/L | pH 2; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.13 g/L | pH 3; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.13 g/L | pH 4; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.13 g/L | pH 5; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.14 g/L | pH 6; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.15 g/L | pH 7; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.29 g/L | pH 8; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 1.5 g/L | pH 9; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 7.2 g/L | pH 10; Ka mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.14 g/L | Wai hoʻopaʻa ʻole pH 5.68; Ka mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 3.7 x 10-4 mol/L | Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol/L | pH 1; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol/L | pH 2; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol/L | pH 3; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol/L | pH 4; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.7 x 10-4 mol/L | pH 5; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.8 x 10-4 mol/L | pH 6; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 4.2 x 10-4 mol/L | pH 7; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 8.0 x 10-4 mol/L | pH 8; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 4.2 x 10-3 mol/L | pH 9; Ka mahana: 25 °C | (1) ACD |
| Molar Solubility | 0.020 mol/L | pH 10; Ka mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Molar Solubility | 3.8 x 10-4 mol/L | Wai hoʻopaʻa ʻole pH 5.68; Ka mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 361.35 | ||
| pKa | 8.27±0.10 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD |
| pKa | -1.66±0.20 | ʻO ka mahana kumu 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 | 1.459±0.06 g/cm3 | Ka mahana: 20 °C; Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 247.5±3.0 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 | 7 | (1) ACD | |
| H Ka poe e ae | 9 | (1) ACD | |
| H Na kokua | 4 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 13 | (1) ACD | |
| logP | -0.212±0.585 | Ka mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 361.35 |
(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 | 128 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
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