![C21H21N3O6 Thymidine, α - [(1-naphthalenylmethyl) Amino] - α -OXO- (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C21H21N3O6 Thymidine, α - [(1-naphthalenylmethyl) Amino] - α -OXO- (ACI)
Hejmara Registry
1262015-90-6
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 411.41 | - |
| Dendik (texmîn kirin) | 1.460 ± 0.06 G / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 8.23 ± 0.10 | Temana herî acid: 25 ° C |
Hespên Canonîkî
O = c1nc (= o) n (c = c1c (= o) ncc2 = cc = cc = 3c = cc = cc32) c4oc (co) c (o) c4
Isomeric bişirîn
O = C1N (c = c (ncc = 2c3 = c (c = cc2) c = cc = c3) = O) C (= O) N1) [c @@ h] (c @@ h] (o) c4
Inchi
Inchi = 1s / c21h21n3o6 / c25-11-17-16 (30-15) 24-10-15 (24) 23-21 (24) 29) 19 (27) 22-9-13-1-2-5-12-4-1-2-14 (12) 13 / H1- 7,10,16-18,25-26h, 8-9,11h2, (h, 22,27) (H, 23,28,29) / T16-, 17 +, 18 + / M0 / S1
Keyeya Inchi
UUDhOszAwIHgTb-rccfbDprsa-N
3 navên din ên ji bo vê madeyê
α - [(1-naphthalenylmethyl) amino] - α -oxothymidine (ACI); (Napdu); 87: pn: WO2020081510 SEQID: 87 Sequence îdîa kir
Taybetmendiyên berdest
Bedirî
Şîmyakî
Dendetî
Lipinski
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 3.23 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 3.23 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 3.23 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 3.23 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 3.23 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 3.19 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.85 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.40 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Çavkaniya rewşa nirxa xanî |
| Koc 80.5 PH 1; Temp: 25 ° C (1) ACD |
| Koc 80.5 PH 2; Temp: 25 ° C (1) ACD |
| Koc 80.5 PH 3; Temp: 25 ° C (1) ACD |
| Koc 80.5 PH 4; Temp: 25 ° C (1) ACD |
| Koc 80.4 PH 5; Temp: 25 ° C (1) ACD |
| KOC 79.5 PH 6; Temp: 25 ° C (1) ACD |
| KOC 71.1 PH 7; Temp: 25 ° C (1) ACD |
| Koc 34.9 PH 8; Temp: 25 ° C (1) ACD |
| Koc 6.35 PH 9; Temp: 25 ° C (1) ACD |
| Koc 1.39 PH 10; Temp: 25 ° C (1) ACD |
| Logd 0.97 PH 1; Temp: 25 ° C (1) ACD |
| 0.97 pH 2; Temp: 25 ° C (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| logd | 0.97 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 0.97 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 0.97 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 0.97 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 0.92 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 0.61 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | -0.13 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | -0.79 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 0.973 ± 0.586 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 5.3 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.3 x 10-3 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.3 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.3 x 10-3 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.3 x 10-3 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.3 x 10-3 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.3 x 10-3 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.8 x 10-3 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.012 G / L | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.066 G / L | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.30 G / L | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.3 x 10-3 g / l | Wateriyayê Unbuffered PH 6.37; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 1.3 x 10-5 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.3 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.3 x 10-5 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.3 x 10-5 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.3 x 10-5 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.3 x 10-5 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.3 x 10-5 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.4 x 10-5 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.9 x 10-5 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.6 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 7.4 x 10-4 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility molar | 1.3 x 10-5 mol / l | Wateriyayê Unbuffered PH 6.37; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 411.41 | ||
| pka | 8.23 ± 0.10 | Temana herî acid: 25 ° C | (1) ACD |
| pka | -1.90 ± 0.20 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.460 ± 0.06 G / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 281.6 ± 3.0 cm3 / mol | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 7 | (1) ACD | |
| H qebûlkar | 9 | (1) ACD | |
| H Donors | 4 | (1) ACD | |
| H Donor / Qedexe | 13 | (1) ACD | |
| logp | 0.973 ± 0.586 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 411.41 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Çavkaniya şertê |
| Qada pola polar | 128 A2 | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1 H NMR
13 C NMR
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