C33h35n3o8 cytidine, n-acetyl-5'-o- (4-methoxyphenyl) penylmethyl] -2'-o-methyl- (9ci, aci)

khoom

C33h35n3o8 cytidine, n-acetyl-5'-o- (4-methoxyphenyl) penylmethyl] -2'-o-methyl- (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 601.65 -
Ntom ntom (kwv yees) 1.28 ± 0.1 g / cm3 Temp: 20 ° C; XOVXWM: 760 Torr
PKA (kwv yees) 10.19 ± 0.20 Feem ntau acidic temp: 25 ° C

Lwm lub npe thiab cov cim

Canonical smiles o = c1n = c (c = cc = cc = cc = cc = cc = c.c) c (o) c
Isomeric smiles c (OC [C @O H] 1o ((CC) CC = C) CC = C3) (CC)
Tus hauv onei
Inchi = 1s / c33h35n3o8 / C1-28-18-18-5 (44-33 (22-8-9-223-10-14-25 (40-2) 15-11-23) 24-12-16-26 (41-3) 17-13-247,35,37,39-, 29-, 30-, 31- / 31- /4 / s1
Inchi tus yuam sij
Finuhojirmellam-PMFUCWTESA-N
1 Lwm lub npe rau cov khoom siv no
N-acetyl-5'-o- [bis (4-methoxyphenyl) penylmethyl] -2'-o-metylencytidine (ACI)

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 8.87 PH 1; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 27.8 PHA 2; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 171 PH 3; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 55 PH 4; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 650 PH 5; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 668 p.c; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 668 pH 7; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 657 PH 8; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 560 PH 9; Temp: 25 ° C (1) ACD
Bioconclivration qhov tseem ceeb 229 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 48.6 PH 1; Temp: 25 ° C (1) ACD
Txhim hoom 152 PHA 2; Temp: 25 ° C (1) ACD
Txhim hoom 935 PH 3; Temp: 25 ° C (1) ACD
Txhim hoom 2820 PH 4; Temp: 25 ° C (1) ACD
Txhim hoom 3560 PH 5; Temp: 25 ° C (1) ACD
Txhim hoom 3660 p.c; Temp: 25 ° C (1) ACD
Txhim hoom 3660 pH 7; Temp: 25 ° C (1) ACD
Txhim hoom 3600 PH 8; Temp: 25 ° C (1) ACD
Txhim hoom 3070 PH 9; Temp: 25 ° C (1) ACD
Txhim hoom 1250 pH 10; Temp: 25 ° C (1) ACD
logd 2.14 PH 1; Temp: 25 ° C (1) ACD
logd 2.64 PHA 2; Temp: 25 ° C (1) ACD

 

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
logd 3.43 PH 3; Temp: 25 ° C (1) ACD
logd 3.91 PH 4; Temp: 25 ° C (1) ACD
logd 4.01 PH 5; Temp: 25 ° C (1) ACD
logd 4.02 p.c; Temp: 25 ° C (1) ACD
logd 4.02 pH 7; Temp: 25 ° C (1) ACD
logd 4.01 PH 8; Temp: 25 ° C (1) ACD
logd 3.94 PH 9; Temp: 25 ° C (1) ACD
logd 3.55 pH 10; Temp: 25 ° C (1) ACD
lub cim 4.021 ± 0.768 Temp: 25 ° C (1) ACD
Kev ua yeeb yam loj solubility solubility 1.3 x 10-3 g / l Temp: 25 ° C (1) ACD
Loj solubility 0.10 g / l PH 1; Temp: 25 ° C (1) ACD
Loj solubility 0.032 g / l PHA 2; Temp: 25 ° C (1) ACD
Loj solubility 5.2 x 10-3 g / l PH 3; Temp: 25 ° C (1) ACD
Loj solubility 1.7 x 10-3 g / l PH 4; Temp: 25 ° C (1) ACD
Loj solubility 1.4 x 10-3 g / l PH 5; Temp: 25 ° C (1) ACD
Loj solubility 1.3 x 10-3 g / l p.c; Temp: 25 ° C (1) ACD
Loj solubility 1.3 x 10-3 g / l pH 7; Temp: 25 ° C (1) ACD
Loj solubility 1.3 x 10-3 g / l PH 8; Temp: 25 ° C (1) ACD
Loj solubility 1.6 x 10-3 g / l PH 9; Temp: 25 ° C (1) ACD
Loj solubility 3.9 x 10-3 g / l pH 10; Temp: 25 ° C (1) ACD
Loj solubility 1.3 x 10-3 g / l Unbuffered dej pH 6.99; Temp: 25 ° C (1) ACD
Molar intrinsic solubility 2.2 x 10-6 mol / l Temp: 25 ° C (1) ACD
Raug solubility 1.7 x 10-4 mol / l PH 1; Temp: 25 ° C (1) ACD
Raug solubility 5.3 x 10-5 mol / l PHA 2; Temp: 25 ° C (1) ACD
Raug solubility 8.6 x 10-6 mol / l PH 3; Temp: 25 ° C (1) ACD
Raug solubility 2.9 x 10-6 mol / l PH 4; Temp: 25 ° C (1) ACD
Raug solubility 2.3 x 10-6 mol / l PH 5; Temp: 25 ° C (1) ACD
Raug solubility 2.2 x 10-6 mol / l p.c; Temp: 25 ° C (1) ACD
Raug solubility 2.2 x 10-6 mol / l pH 7; Temp: 25 ° C (1) ACD
Raug solubility 2.2 x 10-6 mol / l PH 8; Temp: 25 ° C (1) ACD
Raug solubility 2.6 x 10-6 mol / l PH 9; Temp: 25 ° C (1) ACD
Raug solubility 6.4 x 10-6 mol / l pH 10; Temp: 25 ° C (1) ACD

 

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
Raug solubility 2.2 x 10-6 mol / l Unbuffered dej pH 6.99; Temp: 25 ° C (1) ACD
Molecular hnyav 601.65    
pa kua muag 10.19 ± 0.20 Feem ntau acidic temp: 25 ° C (1) ACD
pa kua muag 3.57 ± 0.20 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 1.28 ± 0.1 g / cm3 Temp: 20 ° C; XOVXWM: 760 Torr (1) ACD
Cov pob zeb ntim 466.5 ± 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

Ntiag tug Tus nqi Yam tseem ceeb Lub hauv paus
Dawb doatable bonds 11   (1) ACD
H neeg txais 11   (1) ACD
H pub dawb 2   (1) ACD
H pub dawb / txais nyiaj 13   (1) ACD
lub cim 4.021 ± 0.768 Temp: 25 ° C (1) ACD
Molecular hnyav 601.65    

(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 128 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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  • Tom ntej:

  • Sau koj cov lus ntawm no thiab xa mus rau peb