C31h30n26 6h-Furo [2h-Furo [2, 3]: 4,5] Oxazolo [3,2] I-Pyymidin - 6 - One, 2 - [[BIS (4-Methoxy Phenyl) phenylmethoxy] Phenylmethoxy] Phenylmethoxy] Phenylmethoxy] Phenylmethoxy] Phenylmethoxy] PhenylmetoXy] Phenylmethoxy] Phenylmethoxy] Phenylmethoxy] PhenylmetoXy] Phenylmethoxy] Phenylmethoxy] Phenylmethoxy] phenylydro-3-hydroxy-7- methyl-, (2r, 3r, 3R, 9AR) - (9CI, ACI)

umphumela

C31h30n26 6h-Furo [2h-Furo [2, 3]: 4,5] Oxazolo [3,2] I-Pyymidin - 6 - One, 2 - [[BIS (4-Methoxy Phenyl) phenylmethoxy] Phenylmethoxy] Phenylmethoxy] Phenylmethoxy] Phenylmethoxy] Phenylmethoxy] PhenylmetoXy] Phenylmethoxy] Phenylmethoxy] Phenylmethoxy] PhenylmetoXy] Phenylmethoxy] Phenylmethoxy] Phenylmethoxy] phenylydro-3-hydroxy-7- methyl-, (2r, 3r, 3R, 9AR) - (9CI, ACI)

Imininingwane eyisisekelo:


Imininingwane Yomkhiqizo

Amathegi Omkhiqizo

Izakhiwo Ezibonakalayo

Izakhiwo ezisemqoka ezisemqoka Thanda Into efunekayo
Isisindo molecular 542.58 -
Iphoyinti elibilayo (abikezelwe) 692.9 ± 65.0 ° C Cindezela: 760 Torr
Ubuningi (obubikezelwe) 1.33 ± 0.1 g / cm3 I-Temp: 20 ° C; Cindezela: 760 Torr
I-PKA (ebikezelwe) 12.51 ± 0.60 Iningi le-acid temp: 25 ° C

Amanye amagama nezikhombi

Ukumamatheka kwe-canonical O = C1n = C2OC3C (O) C (OC3N2C = C1C) CC (C = 4C = c5) (C5 = cc = c (oc) c = c6) C = C (OC) C = C6
I-Isomeric Smiles C (OC [C [C @ ke] 2 ([c @@ HH] (C4 = CC = c (c5
Inchi
Inchi = 1s / c31h30n2o7 / C1-19-17-33-29 (33) 32-38 (33) 32) 26) 22) 26) 26) 26) 23) 26) 2gana (39-3-21 (20-3)
) 22-11-15-24 (37-3) 16-12-22 / H4-17 / 27-129,25-27,29,34H, 18h2,1-3h3 / T25-, 29 +, 29- / S1
Ukhiye we-inchi
BqeQcezngenikssh-Cmithkvlssa-n
1 elinye igama lale nto
.

Ukuhlola i-spectra

I-Spectra iyatholakala
1h NMR
I-13c NMR
Okuninginingi

Izakhiwo Ezibikezelwe

Izakhiwo zitholakala
Bitionalogical
Okuthakiweyo
Incekusana
Lipinski
Isakhiwo esihlobene
Impamba

Bitionalogical

Impahla Thanda Into efunekayo Umthombo
Isici se-BioConCentration I-2800 ph 1; Temp: 25 ° C (1) ACD
Isici se-BioConCentration I-2800 I-PH 2; Temp: 25 ° C (1) ACD
Isici se-BioConCentration I-2800 I-PH 3; Temp: 25 ° C (1) ACD
Isici se-BioConCentration I-2800 I-PH 4; Temp: 25 ° C (1) ACD
Isici se-BioConCentration I-2800 I-PH 5; Temp: 25 ° C (1) ACD
Isici se-BioConCentration I-2800 I-PH 6; Temp: 25 ° C (1) ACD
Isici se-BioConCentration I-2800 I-PH 7; Temp: 25 ° C (1) ACD
Isici se-BioConCentration I-2800 I-PH 8; Temp: 25 ° C (1) ACD
Isici se-BioConCentration I-2800 I-PH 9; Temp: 25 ° C (1) ACD
Isici se-BioConCentration 2790 ph 10; Temp: 25 ° C (1) ACD

(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)

Okuthakiweyo

Impahla Thanda Into efunekayo Umthombo
Ibhola I-10200 ph 1; Temp: 25 ° C (1) ACD
Ibhola I-10200 I-PH 2; Temp: 25 ° C (1) ACD
Ibhola I-10200 I-PH 3; Temp: 25 ° C (1) ACD
Ibhola I-10200 I-PH 4; Temp: 25 ° C (1) ACD
Ibhola I-10200 I-PH 5; Temp: 25 ° C (1) ACD

 

Impahla Thanda Into efunekayo Umthombo
Ibhola I-10200 I-PH 6; Temp: 25 ° C (1) ACD
Ibhola I-10200 I-PH 7; Temp: 25 ° C (1) ACD
Ibhola I-10200 I-PH 8; Temp: 25 ° C (1) ACD
Ibhola I-10200 I-PH 9; Temp: 25 ° C (1) ACD
Ibhola I-10200 ph 10; Temp: 25 ° C (1) ACD
into yokungena yogd 4.84 ph 1; Temp: 25 ° C (1) ACD
into yokungena yogd 4.84 I-PH 2; Temp: 25 ° C (1) ACD
into yokungena yogd 4.84 I-PH 3; Temp: 25 ° C (1) ACD
into yokungena yogd 4.84 I-PH 4; Temp: 25 ° C (1) ACD
into yokungena yogd 4.84 I-PH 5; Temp: 25 ° C (1) ACD
into yokungena yogd 4.84 I-PH 6; Temp: 25 ° C (1) ACD
into yokungena yogd 4.84 I-PH 7; Temp: 25 ° C (1) ACD
into yokungena yogd 4.84 I-PH 8; Temp: 25 ° C (1) ACD
into yokungena yogd 4.84 I-PH 9; Temp: 25 ° C (1) ACD
into yokungena yogd 4.84 ph 10; Temp: 25 ° C (1) ACD
ngena ngemvume 4.839 ± 0.618 Temp: 25 ° C (1) ACD
I-SAST ENTINSIC SOLUBLIC 3.6 x 10-4 g / l Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 3.6 x 10-4 g / l ph 1; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 3.6 x 10-4 g / l I-PH 2; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 3.6 x 10-4 g / l I-PH 3; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 3.6 x 10-4 g / l I-PH 4; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 3.6 x 10-4 g / l I-PH 5; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 3.6 x 10-4 g / l I-PH 6; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 3.6 x 10-4 g / l I-PH 7; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 3.6 x 10-4 g / l I-PH 8; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 3.6 x 10-4 g / l I-PH 9; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 3.6 x 10-4 g / l ph 10; Temp: 25 ° C (1) ACD
Inqwaba ye-solubility 3.6 x 10-4 g / l Amanzi angafakwanga i-PH 7.00; Temp: 25 ° C (1) ACD
I-molar intrinsic soubility 6.6 x 10-7 mol / l Temp: 25 ° C (1) ACD
Molar solility 6.6 x 10-7 mol / l ph 1; Temp: 25 ° C (1) ACD
Molar solility 6.6 x 10-7 mol / l I-PH 2; Temp: 25 ° C (1) ACD
Molar solility 6.6 x 10-7 mol / l I-PH 3; Temp: 25 ° C (1) ACD

 

Impahla Thanda Into efunekayo Umthombo
Molar solility 6.6 x 10-7 mol / l I-PH 4; Temp: 25 ° C (1) ACD
Molar solility 6.6 x 10-7 mol / l I-PH 5; Temp: 25 ° C (1) ACD
Molar solility 6.6 x 10-7 mol / l I-PH 6; Temp: 25 ° C (1) ACD
Molar solility 6.6 x 10-7 mol / l I-PH 7; Temp: 25 ° C (1) ACD
Molar solility 6.6 x 10-7 mol / l I-PH 8; Temp: 25 ° C (1) ACD
Molar solility 6.6 x 10-7 mol / l I-PH 9; Temp: 25 ° C (1) ACD
Molar solility 6.7 x 10-7 mol / l ph 10; Temp: 25 ° C (1) ACD
Molar solility 6.6 x 10-7 mol / l Amanzi angafakwanga i-PH 7.00; Temp: 25 ° C (1) ACD
Isisindo molecular 542.58    
i-pka 12.51 ± 0.60 Iningi le-acid temp: 25 ° C (1) ACD
i-pka -4.38 ± 0.60 I-TEMP eyisisekelo Eyisisekelo: 25 ° C (1) ACD
Ingcindezi ye-vapor 3.73 x 10-20 Torm Temp: 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 1.33 ± 0.1 g / cm3 I-Temp: 20 ° C; Cindezela: 760 Torr (1) ACD
Ivolumu ye-motal 404.9 ± 7.0 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 9   (1) ACD
Akwamukela 9   (1) ACD
H 1   (1) ACD
H Donor / ukwamukela inani 10   (1) ACD
ngena ngemvume 4.839 ± 0.618 Temp: 25 ° C (1) ACD
Isisindo molecular 542.58    

(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)

Isakhiwo esihlobene

Impahla Thanda

Into efunekayo

Umthombo
Indawo yePolar Surface 99.1 A2 (1) ACD

(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)

Impamba

Impahla Thanda Into efunekayo Umthombo
Iphuzu elibilayo 692.9 ± 65.0 ° C Cindezela: 760 Torr (1) ACD
I-Enthalpy of Vaporization 106.61 ± 3.0 KJ / Mol Cindezela: 760 Torr (1) ACD
I-flash point 372.8 ± 34.3 ° C   (1) ACD

(1) Kubaliwe kusetshenziswa isoftware ye-Advanced Chemistry (ACD / Labs) i-V11.02 (© 1994-2023 ACD / labs)

Ukubikezela ukubikezela

I-Spectra iyatholakala
1h NMR
I-13c NMR


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