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)
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 |
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
.
I-Spectra iyatholakala
1h NMR
I-13c NMR
Okuninginingi
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)
I-Spectra iyatholakala
1h NMR
I-13c NMR