C41H41n5o8 Adenosine, N-Benzoyl-5'-O- Ithoxyphenyl) Phenyrothyl)-(2-metoxyethyl) - (9Ci, Aci)

khoom

C41H41n5o8 Adenosine, N-Benzoyl-5'-O- Ithoxyphenyl) Phenyrothyl)-(2-metoxyethyl) - (9Ci, 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 731.79 -
Melting taw tes (sim) 119-121 ° C -
Ntom ntom (kwv yees) 1.31 ± 0.1 g / cm3 Temp: 20 ° C; XOVXWM: 760 Torr
PKA (kwv yees) 7.87 ± 0.43 Feem ntau acidic temp: 25 ° C

Lwm lub npe thiab cov cim

Canonical smiles o = NC1 = NC = NC2 = cnc = cc = cc = cc = cc = cc = cc = cc = cc) c = 7c = cc = cc)
Isomeric luag
C (OC [C @O H] 1O [C @ H] (OC) CC = CC = CC = CC = CC = CC = CC = CCE CC = C (OC) C
= C6) C7 = CC = CC = C7
Tus hauv onei
Inchi = 1s / C41H41n5o8 / c1-49-22-23-52-33 (44) 45-39 (48) 27-5-37-11-27) 24-53- 41 (28-12-8-5-13-28,29-14-18-31 (50-2) (5-26,33,4,4,4,4,4h2,1-3h3, (H, 42,45,48) / t33-,, 35-, 40- / m1 / s1
Inchi tus yuam sij
KevmxGDTKPSMC-Mumpvvmasa-N
16 Lwm lub npe rau cov khoom no
N-benzoyl-5 '-o- [Methoxyphenyl) Phenyrophyl)-aws-(2-methoxyethyl) Adenosine (ACI); 17: PN: US20030211606 Nplooj Ntawv: 19 thov ua ntu zus; 18: PN: US20040005569 Nplooj ntawv: 22 thov ua ntu zus; 20: PN: US20040006030 Nplooj ntawv: 23 Txais ua ntu zus; 20: PN: US200400400400140444 Nplooj: 21 Thov ua ntu zus; 20: PN: US2004004004001409 Nplooj ntawv: 21 thov ua ntu zus; 21: PN: US20040005570 PAG

E: 20 xyoo thov ua ntu zus; 21: PN: US20040040014048 Nplooj ntawv: 21 thov ua ntu zus; 21: PN: US20040040014050 Nplooj: 20 thov ua ntu zus; 22: PN: US20040005565 Nplooj Ntawv: 17- 22 thov ua ntu zus; 22: PN: USE US20040040014051 Nplooj ntawv: 23 Txais ua ntej; 23: PN: US20040 014699 Nplooj Ntawv: 20 thov ua ntu zus; 24: PN: US20040006029 Nplooj: 23 Nplooj ntawv: 23 Cov ntawv thov ua ntu zus; 24: Pn: Wo03106645 Nplooj: 73 thov ua ntu zus; 5'-dimethoxytrityl-2'-o- (met- metoxyethyl)-benzoyl adenosine; 95: PN: US20040005707 Nplooj Ntawv: 20 thov ua ntu zus

Cov Khoom Siv Kev Ntxim Sim

Cov khoom muaj
Thermal

Thermal

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
Melting point 119-121 ° C (1) CAS

(1) Penjarla, Srichylam; Nucleosides, nucleotides & nucleic acids, (2018), 37 (4), 232-247, CAPPUS

Sim spectra

Spectra muaj
1h nmr
13C NMR

Kwv yees cov thaj chaw

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

Kev muaj txuj Ci

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
Bioconclivration qhov tseem ceeb 31700 PH 1; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.08 x 105 PHA 2; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.43 X 105 PH 3; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.48 x 105 PH 4; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.48 x 105 PH 5; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.45 x 105 p.c; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 1.19 x 105 pH 7; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 43000 PH 8; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 7050 PH 9; Temp: 25 ° C (1) ACD

 

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
Bioconclivration qhov tseem ceeb 2060 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 37400 PH 1; Temp: 25 ° C (1) ACD
Txhim hoom 1.28 x 105 PHA 2; Temp: 25 ° C (1) ACD
Txhim hoom 1.69 x 105 PH 3; Temp: 25 ° C (1) ACD
Txhim hoom 1.74 x 105 PH 4; Temp: 25 ° C (1) ACD
Txhim hoom 1.74 x 105 PH 5; Temp: 25 ° C (1) ACD
Txhim hoom 1.71 x 105 p.c; Temp: 25 ° C (1) ACD
Txhim hoom 1.40 x 105 pH 7; Temp: 25 ° C (1) ACD
Txhim hoom 50700 PH 8; Temp: 25 ° C (1) ACD
Txhim hoom 8320 PH 9; Temp: 25 ° C (1) ACD
Txhim hoom 2430 pH 10; Temp: 25 ° C (1) ACD
logd 6.44 PH 1; Temp: 25 ° C (1) ACD
logd 6.97 PHA 2; Temp: 25 ° C (1) ACD
logd 7.09 PH 3; Temp: 25 ° C (1) ACD
logd 7.11 PH 4; Temp: 25 ° C (1) ACD
logd 7.11 PH 5; Temp: 25 ° C (1) ACD
logd 7.10 p.c; Temp: 25 ° C (1) ACD
logd 7.01 pH 7; Temp: 25 ° C (1) ACD
logd 6.57 PH 8; Temp: 25 ° C (1) ACD
logd 5.78 PH 9; Temp: 25 ° C (1) ACD
logd 5.25 pH 10; Temp: 25 ° C (1) ACD
lub cim 7.109 ± 0.766 Temp: 25 ° C (1) ACD
Kev ua yeeb yam loj solubility solubility 5.6 x 10-6 g / l Temp: 25 ° C (1) ACD
Loj solubility 2.6 x 10-5 g / l PH 1; Temp: 25 ° C (1) ACD
Loj solubility 7.3 x 10-6 g / l PHA 2; Temp: 25 ° C (1) ACD
Loj solubility 5.8 x 10-6 g / l PH 3; Temp: 25 ° C (1) ACD
Loj solubility 5.6 x 10-6 g / l PH 4; Temp: 25 ° C (1) ACD
Loj solubility 5.6 x 10-6 g / l PH 5; Temp: 25 ° C (1) ACD
Loj solubility 5.7 x 10-6 g / l p.c; Temp: 25 ° C (1) ACD
Loj solubility 7.0 x 10-6 g / l pH 7; Temp: 25 ° C (1) ACD

 

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Loj solubility 1.9 x 10-5 g / l PH 8; Temp: 25 ° C (1) ACD
Loj solubility 1.2 x 10-4 g / l PH 9; Temp: 25 ° C (1) ACD
Loj solubility 4.0 x 10-4 g / l pH 10; Temp: 25 ° C (1) ACD
Loj solubility 7.0 x 10-6 g / l Unbuffered dej pH 7.00; Temp: 25 ° C (1) ACD
Molar intrinsic solubility 7.6 x 10-9 mol / l Temp: 25 ° C (1) ACD
Raug solubility 3.6 x 10-8 mol / l PH 1; Temp: 25 ° C (1) ACD
Raug solubility 1.0 x 10-8 mol / l PHA 2; Temp: 25 ° C (1) ACD
Raug solubility 7.9 x 10-9 mol / l PH 3; Temp: 25 ° C (1) ACD
Raug solubility 7.7 x 10-9 mol / l PH 4; Temp: 25 ° C (1) ACD
Raug solubility 7.7 x 10-9 mol / l PH 5; Temp: 25 ° C (1) ACD
Raug solubility 7.8 x 10-9 mol / l p.c; Temp: 25 ° C (1) ACD
Raug solubility 9.6 x 10-9 mol / l pH 7; Temp: 25 ° C (1) ACD
Raug solubility 2.6 x 10-8 mol / l PH 8; Temp: 25 ° C (1) ACD
Raug solubility 1.6 x 10-7 mol / l PH 9; Temp: 25 ° C (1) ACD
Raug solubility 5.5 x 10-7 mol / l pH 10; Temp: 25 ° C (1) ACD
Raug solubility 9.5 x 10-9 mol / l Unbuffered dej pH 7.00; Temp: 25 ° C (1) ACD
Molecular hnyav 731.79    
pa kua muag 7.87 ± 0.43 Feem ntau acidic temp: 25 ° C (1) ACD
pa kua muag 1.39 ± 0.10 Feem ntau cov sam luam: 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 1.31 ± 0.1 g / cm3 Temp: 20 ° C; XOVXWM: 760 Torr (1) ACD
Cov pob zeb ntim 556.9 ± 7.0 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

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Dawb doatable bonds 15 (1) ACD
H neeg txais 13 (1) ACD
H pub dawb 2 (1) ACD
H pub dawb / txais nyiaj 15 (1) ACD
 

 

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
lub cim 7.109 ± 0.766 Temp: 25 ° C (1) ACD
Molecular hnyav 731.79    

(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 148 A2 (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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