![C21H21N3O6 Thymidine, α - [(1-naphtalenylmethyl) amino] - α -oxo- (aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C21H21N3O6 Thymidine, α - [(1-naphtalenylmethyl) amino] - α -oxo- (aci)
CAS Erregistroaren zenbakia
1262015-90-6
| Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
| Pisu molekularra | 411,41 | - |
| Dentsitatea (aurreikusitakoa) | 1.460 ± 0,06 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr |
| pka (aurreikusita) | 8,23 ± 0,10 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak
O = c1nc (= o) n (c = c1c (= o) ncc2 = cc = cc = 3c = cc = cc32) c4oc (co) c (o) c4
Irribarre isomerikoak
O = c1n (c = c (c (ncc = 2c3 = c (c = cc2) c = o) c (= o) n1) [c @@ h] 4o [c @ h] (c) [c @@ h] (o) c4
Inchi
Inchi = 1s / c21h21n3o6 / c25-11-17-16 (26) 8-18 (30-17) 24-10-15 (20-17) 23-21 (24) 29) 19 (27) 29-21 (27) 29-9-13-6-3-5-12-4-1-2-7-14 (12) 13 / H1- 7,10,16-18,25-26: 8-9,11: (H, 22,27) (H, 23.28,29) / T16-, 17 +, 18 + / m0 / s1
Inchi gakoa
Uudhoszawihgtb-rccfbdprsa-n
Substantzia honetarako beste izen batzuk
α - [(1-naftalenilmetilia) amino] - α -oxothymidine (aci); (Napu); 87: PN: WO2020081510 SEQID: 87 Sekuentzia erreklamatua
Ezaugarriak eskuragarri
Biologiko
Gai kimiko
Dentsitate
Lipinski
Egitura erlazionatua
| Jabetasun | Balio | Baldintza | Iturri |
| Bioconcentration faktorea | 323 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 323 | PH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 323 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 323 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 323 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 319 | PH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 2,85 | PH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1,40 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetza Balioaren egoera Iturria |
| 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 |
| Erregistroa 0,97 pH 1; Temp: 25 ° C (1) ACD |
| Erregistroa 0,97 pH 2; Temp: 25 ° C (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| sintika | 0,99 | pH 3; Temp: 25 ° C | (1) ACD |
| sintika | 0,99 | PH 4; Temp: 25 ° C | (1) ACD |
| sintika | 0,99 | PH 5; Temp: 25 ° C | (1) ACD |
| sintika | 0,99 | PH 6; Temp: 25 ° C | (1) ACD |
| sintika | 0,92 | PH 7; Temp: 25 ° C | (1) ACD |
| sintika | 0,61 | PH 8; Temp: 25 ° C | (1) ACD |
| sintika | -0,13 | PH 9; Temp: 25 ° C | (1) ACD |
| sintika | -0,99 | pH 10; Temp: 25 ° C | (1) ACD |
| logpp | 0,973 ± 0,586 | Temp: 25 ° C | (1) ACD |
| Intrinsic disolbagarritasuna | 5.3 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.3 x 10-3 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.3 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.3 x 10-3 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.3 x 10-3 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.3 x 10-3 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.3 x 10-3 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5,8 x 10-3 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,012 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,066 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 0,30 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 5.3 x 10-3 g / l | URAREN PHINA 6,37; Temp: 25 ° C | (1) ACD |
| Molar berezko disolbagarritasuna | 1,3 x 10-5 mol / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,3 x 10-5 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,3 x 10-5 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,3 x 10-5 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,3 x 10-5 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,3 x 10-5 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,3 x 10-5 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,4 x 10-5 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 2,9 x 10-5 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 1,6 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 7,4 x 10-4 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| Disolbagarritasun molarra | 1,3 x 10-5 mol / l | URAREN PHINA 6,37; Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 411,41 | ||
| pka | 8,23 ± 0,10 | Gai azido gehienak: 25 ° C | (1) ACD |
| pka | -1,90 ± 0,20 | Oinarrizko tenperatura: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetasun | Balio | Baldintza | Iturri |
| Dentsitate | 1.460 ± 0,06 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
| Bolumen molarra | 281,6 ± 3.0 cm3 / mol | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetasun | Balio | Baldintza | Iturri |
| Lotura libreki birakariak | 7 | (1) ACD | |
| H Onartzaileak | 9 | (1) ACD | |
| H Emaileak | 4 | (1) ACD | |
| H emaile / onartzaileen batura | 13 | (1) ACD | |
| logpp | 0,973 ± 0,586 | Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 411,41 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
| Jabetasun | Balio | Egoeraren iturria |
| Azalera polarra | 128 A2 | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Espektroak eskuragarri
1 h nmr
13 c nmr
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