![C21H21N3O6 Timidina, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C21H21N3O6 Timidina, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI) Kiʻi Hōʻikeʻike](https://www.csnvchem.com/uploads/C21H21N3O6-Thymidine.png)
C21H21N3O6 Timidina, α – [(1-naphthalenylmethyl)amino]- α -oxo- (ACI)
Helu Kakau CAS
1262015-90-6
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 411.41 | - |
| ʻAiʻa (Wanamua) | 1.460±0.06 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr |
| pKa (Wanamua) | 8.23±0.10 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
KAONIKA SMILES
O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(CO)C(O)C4
NĀ ʻAʻO ʻIsomeric
O=C1N(C=C(C(NCC=2C3=C(C=CC2)C=CC=C3)=O)C(=O)N1)[C@@H]4O[C@H](CO )[C@@H](O)C4
InChI
InChI= 1S/C21H21N3O6/c25-11-17-16(26)8-18(30-17)24-10-15(20(28)23-21(24)29)19(27)22-9- 13-6-3-5-12-4-1-2-7-14(12)13/h1- 7,10,16-18,25-26H,8-9,11H2,(H,22,27 )(H,23,28,29)/t16-,17+,18+/m0/s1
InChI Ki
UUDHOSZAWIHGTB-RCCFBDPRSA-N
3 Nā inoa ʻē aʻe no kēia mea
α -[(1-Naphthalenylmethyl)amino]- α -oxothymidine (ACI);(NapdU);87: PN: WO2020081510 SEQID: 87 kaʻina i koi ʻia
Loaʻa nā waiwai
olaola
Kemika
ʻO ka mānoanoa
Lipinski
Hoʻonohonoho pili
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 3.23 | pH 1;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3.23 | pH 2;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3.23 | pH 3;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3.23 | pH 4;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3.23 | pH 5;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3.19 | pH 6;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 2.85 | pH 7;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.40 | 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)
| Punawai Kūlana Waiwai |
| Koc 80.5 pH 1;Maha: 25 °C (1) ACD |
| Koc 80.5 pH 2;Maha: 25 °C (1) ACD |
| Koc 80.5 pH 3;Maha: 25 °C (1) ACD |
| Koc 80.5 pH 4;Maha: 25 °C (1) ACD |
| Koc 80.4 pH 5;Maha: 25 °C (1) ACD |
| Koc 79.5 pH 6;Maha: 25 °C (1) ACD |
| Koc 71.1 pH 7;Maha: 25 °C (1) ACD |
| Koc 34.9 pH 8;Maha: 25 °C (1) ACD |
| Koc 6.35 pH 9;Maha: 25 °C (1) ACD |
| Koc 1.39 pH 10;Maha: 25 °C (1) ACD |
| logD 0.97 pH 1;Mahana: 25 °C (1) ACD |
| logD 0.97 pH 2;Maha: 25 °C (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| logD | 0.97 | pH 3;Mahana: 25 °C | (1) ACD |
| logD | 0.97 | pH 4;Mahana: 25 °C | (1) ACD |
| logD | 0.97 | pH 5;Mahana: 25 °C | (1) ACD |
| logD | 0.97 | pH 6;Mahana: 25 °C | (1) ACD |
| logD | 0.92 | pH 7;Mahana: 25 °C | (1) ACD |
| logD | 0.61 | pH 8;Mahana: 25 °C | (1) ACD |
| logD | -0.13 | pH 9;Mahana: 25 °C | (1) ACD |
| logD | -0.79 | pH 10;Mahana: 25 °C | (1) ACD |
| logP | 0.973±0.586 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 5.3 x 10-3 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.3 x 10-3 g/L | pH 1;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.3 x 10-3 g/L | pH 2;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.3 x 10-3 g/L | pH 3;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.3 x 10-3 g/L | pH 4;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.3 x 10-3 g/L | pH 5;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.3 x 10-3 g/L | pH 6;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.8 x 10-3 g/L | pH 7;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.012 g/L | pH 8;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.066 g/L | pH 9;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 0.30 g/L | pH 10;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 5.3 x 10-3 g/L | Wai hoʻopaʻa ʻole pH 6.37;Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 1.3 x 10-5 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 mol/L | pH 1;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 mol/L | pH 2;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 mol/L | pH 3;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 mol/L | pH 4;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 mol/L | pH 5;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.3 x 10-5 mol/L | pH 6;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.4 x 10-5 mol/L | pH 7;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 2.9 x 10-5 mol/L | pH 8;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.6 x 10-4 mol/L | pH 9;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 7.4 x 10-4 mol/L | pH 10;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Molar Solubility | 1.3 x 10-5 mol/L | Wai hoʻopaʻa ʻole pH 6.37;Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 411.41 | ||
| pKa | 8.23±0.10 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD |
| pKa | -1.90±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 | 1.460±0.06 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 281.6±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 Kokua | 4 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 13 | (1) ACD | |
| logP | 0.973±0.586 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 411.41 |
(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
![C17H19N3O6 Timidina, α -oxo- α -[(phenylmethyl)amino]- (ACI)](https://www.csnvchem.com/uploads/C17H19N3O6-Thymidine-300x300.png)