![C17H19N3O6 Thymidine, α -oxo- α - [(Phenyilharhletl) Amino]](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C17H19N3O6 Thymidine, α -oxo- α - [(Phenyilharhletl) Amino]
CAT Nomer Pendaptaran
944268-75-1
| Sipat fisik konci | Nilai | Kaayaan |
| Beurat molekular | 361.35 | - |
| Kapadetan (diprediksi) | 1.459 ± 0,06 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr |
| Pair (diprediksi) | 8.27 ± 0,10 | TEMP anu paling asam: 25 ° C |
Imut
O = c1nc (= o) n (c = c1c (= o) ncc = 2c = cc = c3) c3oc (co) c3
Imutterik
O = C1N ([C @@ H] 2O [C @ H] (CO) [C @@ CC
Atchi
Inchi = 1s / c17h19n3o6 / c21-9-13-12 (22) 6-14 (26-13) 20-17 H2, (18,23) (H, 19,24,25) / T12-, 13 +, 14 + / S1 / M0 / S1 / S1 / S1
Konci inci
Vbryagcluxfmkm-bfhyxjoushoatha-n
3 ngaran séjén pikeun zat ieu
α -oxo-α - [(Phenylmmethl) amino] Thiry (Aci); (Bndu); 7: PN: Wo2020081510 SEQID: 7 urutan anu ngaku
Sipat sayogi
Biologis
Kimia
Perténaran
Lipinski
Struktur patali
| Harta | Nilai | Kaayaan | Sumber |
| Faktor bioconcation | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.0 | pH 2; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
| Sumber kaayaan nilai harta |
| Koc 18,3 pH 1; Temp: 25 ° C (1) acd |
| Koc 18,3 pH 2; Temp: 25 ° C (1) acd |
| Koc 18,3 pH 3; Temp: 25 ° C (1) acd |
| Koc 18,3 PH 4; Temp: 25 ° C (1) acd |
| Koc 18.3 PH 5; Temp: 25 ° C (1) acd |
| Koc 18.1 pH 6; Temp: 25 ° C (1) acd |
| Koc 16.4 PH 7; Temp: 25 ° C (1) acd |
| Koc 8.56 pH 8; Temp: 25 ° C (1) acd |
| Koc 1.62 ph 9; Temp: 25 ° C (1) acd |
| Koc 1.0 ph 10; Temp: 25 ° C (1) acd |
| LogD -0.21 pH 1; Temp: 25 ° C (1) acd |
| LogD -0.21 PH 2; Temp: 25 ° C (1) acd |
| Harta | Nilai | Kaayaan | Sumber |
| log As | -0.21 | pH 3; Temp: 25 ° C | (1) ACD |
| log As | -0.21 | pH 4; Temp: 25 ° C | (1) ACD |
| log As | -0.21 | pH 5; Temp: 25 ° C | (1) ACD |
| log As | -0.22 | pH 6; Temp: 25 ° C | (1) ACD |
| log As | -0.26 | pH 7; Temp: 25 ° C | (1) ACD |
| log As | -0.54 | pH 8; Temp: 25 ° C | (1) ACD |
| log As | -1.26 | pH 9; Temp: 25 ° C | (1) ACD |
| log As | -1.95 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | -0.212 ± 0.585 | Temp: 25 ° C | (1) ACD |
| Kebar intrinsik massic | 0.13 g / l | Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0.13 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0.13 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0.13 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0.13 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0.13 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,14 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0.15 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0.29 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 1,5 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 7,2 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 0,14 g / l | Cai pH Temp: 25 ° C | (1) ACD |
| Kebar intrinsik molar | 3.7 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.7 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.7 x 10-4 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.7 x 10-4 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.7 x 10-4 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.7 x 10-4 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 3.8 x 10-4 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 4.2 x 10-4 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 8.0 x 10-4 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 4.2 x 10-3 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 0,020 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kahirupan molar | 3.8 x 10-4 mol / l | Cai pH Temp: 25 ° C | (1) ACD |
| Beurat molekular | 361.35 | ||
| Pka | 8.27 ± 0,10 | TEMP anu paling asam: 25 ° C | (1) ACD |
| Pka | -1.66 ± 0,20 | Paling dasar temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
| Harta | Nilai | Kaayaan | Sumber |
| Perténaran | 1.459 ± 0,06 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
| Masar | 247.5 ± 3.0 cm3 / mol | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
| Harta | Nilai | Kaayaan | Sumber |
| Beungkeut bébas rotét | 7 | (1) ACD | |
| H panarima | 9 | (1) ACD | |
| H donor | 4 | (1) ACD | |
| H donor / panarima | 13 | (1) ACD | |
| logp | -0.212 ± 0.585 | Temp: 25 ° C | (1) ACD |
| Beurat molekular | 361.35 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
| Harta | Nilai | Sumber kaayaan |
| Daérah permukaan polar | 128 A2 | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1 h nmr
13 c nmr
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