C41H39No6 1-pyrrolidinecarboxylic acid, 2 - [methhofm etylen-9-Ylmethyl Ester, (2s, 4r) - (9 ci, ACI)

khoom

C41H39No6 1-pyrrolidinecarboxylic acid, 2 - [methhofm etylen-9-Ylmethyl Ester, (2s, 4r) - (9 ci, ACI)

Cov Lus Qhia Yooj Yim:


Khoom Qhia Qhia

Khoom Ntawv

Cov Khoom Siv Lub Cev

Cov Khoom Tseem Ceeb Tus nqi Yam tseem ceeb
Molecular hnyav 641.75 -
Boiling taw tes (kwv yees) 768.7 ± 60.0 ° C XOVXWM: 760 Torr
Ntom ntom (kwv yees) 1.237 ± 0.06 g / cm3 Temp: 20 ° C; XOVXWM: 760 Torr
PKA (kwv yees) 14.50 ± 0.40 Feem ntau acidic temp: 25 ° C

Lwm lub npe thiab cov cim

Canonical smiles o = c (occ1c = 2c = 3c = 3c = cc = cc = cc = cc = cc = cc = cc = c (ec) c = c7
Isomeric smiles c (OC [B @ H] 1n (CCE2C = CC = CC = CC = CC = CC = CC = CC = CC = CC = C7
Tus hauv onei
Inchi = 1s / c41h39No6 / C1-45-33-23-33-33-33-33-24-32-32 (43) 25-42 (31) (31) (1) 44) 47-27-39-37-14-8-6-12-35 (37) 36-13,3,31,31,h3 / t31-, 322 / s1
Inchi tus yuam sij
Qpxskgjjumjqebdwes-ajqtzopksa-n
2 lwm lub npe rau cov khoom siv no
1-pyrrolidinecarboxylic acid, 2 - [methoxypheny) methyl)-hydrothees-, 9s-trans-9-trans) - (ZCI); 9H-fluoren-9-Ylmethyl (2s, 4r) -2 - [methoxyphenyl) phelloxy-1-pyrroxy-1-pyrrolidinecarboxylate (aci)

Kwv yees cov thaj chaw

Cov khoom muaj
Kev muaj txuj Ci
Tshuaj
Ceev
Ncauj lus di ncauj
Cov qauv muaj feem xyuam
Thermal

Kev muaj txuj Ci

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
Bioconclivration qhov tseem ceeb 1.00 x 106 PH 1; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.00 x 106 PHA 2; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.00 x 106 PH 3; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.00 x 106 PH 4; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.00 x 106 PH 5; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.00 x 106 p.c; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.00 x 106 pH 7; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.00 x 106 PH 8; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.00 x 106 PH 9; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.00 x 106 pH 10; Temp: 25 ° C (1) ACD

(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)

Tshuaj

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
Txhim hoom 7.70 x 105 PH 1; Temp: 25 ° C (1) ACD
Txhim hoom 7.70 x 105 PHA 2; Temp: 25 ° C (1) ACD
Txhim hoom 7.70 x 105 PH 3; Temp: 25 ° C (1) ACD
Txhim hoom 7.70 x 105 PH 4; Temp: 25 ° C (1) ACD
Txhim hoom 7.70 x 105 PH 5; Temp: 25 ° C (1) ACD
Txhim hoom 7.70 x 105 p.c; Temp: 25 ° C (1) ACD
Txhim hoom 7.70 x 105 pH 7; Temp: 25 ° C (1) ACD
Txhim hoom 7.70 x 105 PH 8; Temp: 25 ° C (1) ACD
Txhim hoom 7.70 x 105 PH 9; Temp: 25 ° C (1) ACD
Txhim hoom 7.70 x 105 pH 10; Temp: 25 ° C (1) ACD

 

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
logd 8.29 PH 1; Temp: 25 ° C (1) ACD
logd 8.29 PHA 2; Temp: 25 ° C (1) ACD
logd 8.29 PH 3; Temp: 25 ° C (1) ACD
logd 8.29 PH 4; Temp: 25 ° C (1) ACD
logd 8.29 PH 5; Temp: 25 ° C (1) ACD
logd 8.29 p.c; Temp: 25 ° C (1) ACD
logd 8.29 pH 7; Temp: 25 ° C (1) ACD
logd 8.29 PH 8; Temp: 25 ° C (1) ACD
logd 8.29 PH 9; Temp: 25 ° C (1) ACD
logd 8.29 pH 10; Temp: 25 ° C (1) ACD
lub cim 8.289 ± 0.729 Temp: 25 ° C (1) ACD
Kev ua yeeb yam loj solubility solubility 4.7 x 10-6 g / l Temp: 25 ° C (1) ACD
Loj solubility 4.7 x 10-6 g / l PH 1; Temp: 25 ° C (1) ACD
Loj solubility 4.7 x 10-6 g / l PHA 2; Temp: 25 ° C (1) ACD
Loj solubility 4.7 x 10-6 g / l PH 3; Temp: 25 ° C (1) ACD
Loj solubility 4.7 x 10-6 g / l PH 4; Temp: 25 ° C (1) ACD
Loj solubility 4.7 x 10-6 g / l PH 5; Temp: 25 ° C (1) ACD
Loj solubility 4.7 x 10-6 g / l p.c; Temp: 25 ° C (1) ACD
Loj solubility 4.7 x 10-6 g / l pH 7; Temp: 25 ° C (1) ACD
Loj solubility 4.7 x 10-6 g / l PH 8; Temp: 25 ° C (1) ACD
Loj solubility 4.7 x 10-6 g / l PH 9; Temp: 25 ° C (1) ACD
Loj solubility 4.7 x 10-6 g / l pH 10; Temp: 25 ° C (1) ACD
Loj solubility 4.7 x 10-6 g / l Unbuffered dej pH 7.00; Temp: 25 ° C (1) ACD
Molar intrinsic solubility 7.3 x 10-9 mol / l Temp: 25 ° C (1) ACD
Raug solubility 7.3 x 10-9 mol / l PH 1; Temp: 25 ° C (1) ACD
Raug solubility 7.3 x 10-9 mol / l PHA 2; Temp: 25 ° C (1) ACD
Raug solubility 7.3 x 10-9 mol / l PH 3; Temp: 25 ° C (1) ACD
Raug solubility 7.3 x 10-9 mol / l PH 4; Temp: 25 ° C (1) ACD
Raug solubility 7.3 x 10-9 mol / l PH 5; Temp: 25 ° C (1) ACD
Raug solubility 7.3 x 10-9 mol / l p.c; Temp: 25 ° C (1) ACD
Raug solubility 7.3 x 10-9 mol / l pH 7; Temp: 25 ° C (1) ACD
Raug solubility 7.3 x 10-9 mol / l PH 8; Temp: 25 ° C (1) ACD

 

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
Raug solubility 7.3 x 10-9 mol / l PH 9; Temp: 25 ° C (1) ACD
Raug solubility 7.3 x 10-9 mol / l pH 10; Temp: 25 ° C (1) ACD
Raug solubility 7.3 x 10-9 mol / l Unbuffered dej pH 7.00; Temp: 25 ° C (1) ACD
Molecular hnyav 641.75    
pa kua muag 14.50 ± 0.40 Feem ntau acidic temp: 25 ° C (1) ACD
pa kua muag -3.24 ± 0.60 Feem ntau cov sam luam: 25 ° C (1) ACD
Vapor siab 7.42 x 10-25 torr Temp: 25 ° C (1) ACD

(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)

Ceev

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
Ceev 1.237 ± 0.06 g / cm3 Temp: 20 ° C; XOVXWM: 760 Torr (1) ACD
Cov pob zeb ntim 518.4 ± 3.0 cm3 / mol Temp: 20 ° C; XOVXWM: 760 Torr (1) ACD

(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)

Ncauj lus di ncauj

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
Dawb doatable bonds 12   (1) ACD
H neeg txais 7   (1) ACD
H pub dawb 1   (1) ACD
H pub dawb / txais nyiaj 8   (1) ACD
lub cim 8.289 ± 0.729 Temp: 25 ° C (1) ACD
Molecular hnyav 641.75    

(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)

Cov qauv muaj feem xyuam

Ntiag tug Tus nqi

Yam tseem ceeb

Lub hauv paus
Polar Thaj Chaw Thaj Chaw 77.5 A2 (1) ACD

(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)

Thermal

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
Kub taw tes 768.7 ± 60.0 ° C XOVXWM: 760 Torr (1) ACD
Enthalpy ntawm vaporization 117.42 ± 3.0 KJ / MOL XOVXWM: 760 Torr (1) ACD
Flash point 418.7 ± 32.9 ° C   (1) ACD

(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)

Kwv yees spectra

Spectra muaj
1h nmr
13C NMR


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