C21h21N3O6 Thymidine, α - [(1-naphthalenylmethyl) Amino] - α-(ACI)

umphumela

C21h21N3O6 Thymidine, α - [(1-naphthalenylmethyl) Amino] - α-(ACI)

Imininingwane eyisisekelo:


Imininingwane Yomkhiqizo

Amathegi Omkhiqizo

Imininingwane yezidakamizwa

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

Amanye amagama nezikhombi

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

Bitionalogical

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)

Okuthakiweyo

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)

Incekusana

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)

Lipinski

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)

Isakhiwo esihlobene

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)

Ukubikezela ukubikezela

I-Spectra iyatholakala
1 h nmr
13 c NMR


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