C21h21N3O6 Thymidine, α - [(1-naphthalenylmethyl) Amino] - α-(ACI)
Inombolo yokubhalisa ye-CAS
1262015-90-6
Izakhiwo ezisemqoka ezisemqoka | Thanda | Into efunekayo |
Isisindo molecular | 411.41 | - |
Ubuningi (obubikezelwe) | I-1.460 ± 0.06 g / cm3 | I-Temp: 20 ° C; Cindezela: 760 Torr |
I-PKA (ebikezelwe) | 8.23 ± 0.10 | Iningi le-acid temp: 25 ° C |
Ukumamatheka kwe-canonical
O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(CO)C(O)C4
I-Isomeric ukumamatheka
O = C1n (C = C (C (NCC = 2c3 = c (c = c (c = cc2 cc2) c = cc = c3) [C @@ h h h h h h
Inchi
Inchi = 1s / c21h21n3o6 / c25-11-17-16 (26) 8-18 (30) 23- 29- 29-311. 22-13) 19 (27) 22-21. 7,10,16-18,25-26.19h, 8-9,17),
Ukhiye we-inchi
Uudhoszawihgtb-RCCFBDPRA-N
Amanye amagama ama-3 ngale nto
α - [(1-naphthalenylmethyl) Amino] - α -Oxothymidine (ACI); (Napdu); 87: PN: WO2020081510 SEQID: 87 Ukulandelana Okushiwoyo
Izakhiwo zitholakala
Bitionalogical
Okuthakiweyo
Incekusana
Lipinski
Isakhiwo esihlobene
Impahla | Thanda | Into efunekayo | Umthombo |
Isici se-BioConCentration | 3.23 | ph 1; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 3.23 | I-PH 2; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 3.23 | I-PH 3; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 3.23 | I-PH 4; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 3.23 | I-PH 5; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 3.19 | I-PH 6; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | I-2.85 | I-PH 7; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.40 | I-PH 8; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.0 | I-PH 9; Temp: 25 ° C | (1) ACD |
Isici se-BioConCentration | 1.0 | ph 10; Temp: 25 ° C | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Umthombo Wezimo Zentela Yezakhiwo |
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 |
I-KOC 79.5 PH 6; Temp: 25 ° C (1) ACD |
I-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 |
I-KOC 1.39 PH 10; Temp: 25 ° C (1) ACD |
I-Logd 0.97 PH 1; Temp: 25 ° C (1) ACD |
logd 0.97 PH 2; Temp: 25 ° C (1) ACD |
Impahla | Thanda | Into efunekayo | Umthombo |
into yokungena yogd | 0.97 | I-PH 3; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 0.97 | I-PH 4; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 0.97 | I-PH 5; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 0.97 | I-PH 6; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 0.92 | I-PH 7; Temp: 25 ° C | (1) ACD |
into yokungena yogd | 0.61 | I-PH 8; Temp: 25 ° C | (1) ACD |
into yokungena yogd | -0.13 | I-PH 9; Temp: 25 ° C | (1) ACD |
into yokungena yogd | -0.79 | ph 10; Temp: 25 ° C | (1) ACD |
ngena ngemvume | 0.973 ± 0.586 | Temp: 25 ° C | (1) ACD |
I-SAST ENTINSIC SOLUBLIC | 5.3 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.3 x 10-3 g / l | ph 1; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.3 x 10-3 g / l | I-PH 2; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.3 x 10-3 g / l | I-PH 3; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.3 x 10-3 g / l | I-PH 4; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.3 x 10-3 g / l | I-PH 5; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.3 x 10-3 g / l | I-PH 6; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.8 x 10-3 g / l | I-PH 7; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 0.012 g / l | I-PH 8; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 0.066 g / l | I-PH 9; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 0.30 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Inqwaba ye-solubility | 5.3 x 10-3 g / l | I-PH efunwe amanzi pH 6.37; Temp: 25 ° C | (1) ACD |
I-molar intrinsic soubility | 1.3 x 10-5 mol / l | Temp: 25 ° C | (1) ACD |
Molar solility | 1.3 x 10-5 mol / l | ph 1; Temp: 25 ° C | (1) ACD |
Molar solility | 1.3 x 10-5 mol / l | I-PH 2; Temp: 25 ° C | (1) ACD |
Molar solility | 1.3 x 10-5 mol / l | I-PH 3; Temp: 25 ° C | (1) ACD |
Molar solility | 1.3 x 10-5 mol / l | I-PH 4; Temp: 25 ° C | (1) ACD |
Molar solility | 1.3 x 10-5 mol / l | I-PH 5; Temp: 25 ° C | (1) ACD |
Molar solility | 1.3 x 10-5 mol / l | I-PH 6; Temp: 25 ° C | (1) ACD |
Molar solility | 1.4 x 10-5 mol / l | I-PH 7; Temp: 25 ° C | (1) ACD |
Molar solility | 2.9 x 10-5 mol / l | I-PH 8; Temp: 25 ° C | (1) ACD |
Molar solility | 1.6 x 10-4 mol / l | I-PH 9; Temp: 25 ° C | (1) ACD |
Molar solility | 7.4 x 10-4 mol / l | ph 10; Temp: 25 ° C | (1) ACD |
Impahla | Thanda | Into efunekayo | Umthombo |
Molar solility | 1.3 x 10-5 mol / l | I-PH efunwe amanzi pH 6.37; Temp: 25 ° C | (1) ACD |
Isisindo molecular | 411.41 | ||
i-pka | 8.23 ± 0.10 | Iningi le-acid temp: 25 ° C | (1) ACD |
i-pka | -1.90 ± 0.20 | I-TEMP eyisisekelo Eyisisekelo: 25 ° C | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Impahla | Thanda | Into efunekayo | Umthombo |
Incekusana | I-1.460 ± 0.06 g / cm3 | I-Temp: 20 ° C; Cindezela: 760 Torr | (1) ACD |
Ivolumu ye-motal | 281.6 ± 3.0 CM3 / Mol | I-Temp: 20 ° C; Cindezela: 760 Torr | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Impahla | Thanda | Into efunekayo | Umthombo |
Amabhondi ajikeleze ngokukhululeka | 7 | (1) ACD | |
Akwamukela | 9 | (1) ACD | |
H | 4 | (1) ACD | |
H Donor / ukwamukela inani | 13 | (1) ACD | |
ngena ngemvume | 0.973 ± 0.586 | Temp: 25 ° C | (1) ACD |
Isisindo molecular | 411.41 |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
Impahla | Thanda | Umthombo Wesimo |
Indawo ye-polar surface | 128 A2 A2 | (1) ACD |
(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)
I-Spectra iyatholakala
1 h nmr
13 c NMR