C41H41N5O8 adenosine, n-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O- (2-methoxyethyl)-(9ci, ACI)

Bidhaa

C41H41N5O8 adenosine, n-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O- (2-methoxyethyl)-(9ci, ACI)

Habari ya kimsingi:


Maelezo ya bidhaa

Vitambulisho vya bidhaa

Mali ya mwili

Sifa muhimu za mwili Thamani Hali
Uzito wa Masi 731.79 -
Hatua ya kuyeyuka (majaribio) 119-121 ° C. -
Uzani (uliotabiriwa) 1.31 ± 0.1 g/cm3 Temp: 20 ° C; Bonyeza: 760 Torr
PKA (alitabiri) 7.87 ± 0.43 Templeti nyingi za asidi: 25 ° C.

Majina mengine na vitambulisho

Tabasamu za Canonical O = C (NC1 = NC = NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3OCCOC) C = 7C = CC7
Tabasamu za Isomeric
C (oc [c@h] 1o [c@h] ([c@h] (occoc) [c @@ h] 1o) n2c = 3c (n = c2) = c (nc (= o) c4 = cc = cc = c4) n = cn3) (c5 = cc = c (oc) c = c5) (c6 = cc = c
= C6) C7 = CC = CC = C7
Inchi
Inchi = 1S/C41H41N5O8/C1-49-22-23-52-36-35 (47) 33 (54-40 (36) 46-26-44-34-37 (42-25-43-38 (34) 46) 45-3-7) 27-27-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7-7- 27-6-7. 41 (28-12-8-5-9-13-28,29-14-18-31 (50-2) 19-15-29) 30-16-20-32 (51-3) 21-17-30/H4-21,25-26,33,35-36,40,47h, 22-242 ,1-3, (H, 42,43,45,48)/T33-, 35-, 36-, 40-/m1/s1
Ufunguo wa Inchi
Kevmxgndkpsmc-mumpvvmasa-n
Majina mengine 16 kwa dutu hii
N-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- (2-methoxyethyl) adenosine (ACI); 17: PN: US20030211606 Ukurasa: 19 Mlolongo uliodaiwa; 18: PN: US20040005569 Ukurasa: 22 mlolongo uliodaiwa; 20: PN: US20040006030 Ukurasa: 23 mlolongo uliodaiwa; 20: PN: US20040014047 Ukurasa: 21 Mlolongo uliodaiwa; 20: PN: US20040014049 Ukurasa: 21 Mlolongo uliodaiwa; 21: PN: US20040005570 PAG

E: 20 iliyodaiwa mlolongo; 21: PN: US20040014048 Ukurasa: 21 Mlolongo uliodaiwa; 21: PN: US20040014050 Ukurasa: 20 mlolongo uliodaiwa; 22: PN: US20040005565 Ukurasa: 17- 22 Mlolongo uliodaiwa; 22: PN: US20040014051 Ukurasa: 23 mlolongo uliodaiwa; 23: PN: US20040 014699 Ukurasa: 20 Mlolongo uliodaiwa; 24: PN: US20040006029 Ukurasa: 23 mlolongo uliodaiwa; 24: PN: WO03106645 Ukurasa: 73 Mlolongo uliodaiwa; 5'-dimethoxytrityl-2'-o- (2-methoxyethyl) -N6-benzoyl adenosine; 95: PN: US20040005707 Ukurasa: 20 mlolongo uliodaiwa

Mali ya majaribio

Mali inapatikana
Mafuta

Mafuta

Mali Thamani Hali Chanzo
Hatua ya kuyeyuka 119-121 ° C. (1) CAS

(1) Pnjarla, Srishylam; Nucleosides, Nucleotides & Asidi ya Nyuklia, (2018), 37 (4), 232-247, Caplus

Majaribio ya majaribio

Spectra inapatikana
1H NMR
13C NMR

Mali zilizotabiriwa

Mali inapatikana
Kibaolojia
Kemikali
Wiani
Lipinski
Muundo unaohusiana

Kibaolojia

Mali Thamani Hali Chanzo
Sababu ya bioconcentration 31700 pH 1; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 1.08 x 105 pH 2; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 1.43 x 105 pH 3; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 1.48 x 105 pH 4; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 1.48 x 105 pH 5; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 1.45 x 105 pH 6; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 1.19 x 105 pH 7; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 43000 pH 8; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 7050 pH 9; Temp: 25 ° c (1) ACD

 

Mali Thamani Hali Chanzo
Sababu ya bioconcentration 2060 pH 10; Temp: 25 ° c (1) ACD

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Kemikali

Mali Thamani Hali Chanzo
KOC 37400 pH 1; Temp: 25 ° c (1) ACD
KOC 1.28 x 105 pH 2; Temp: 25 ° c (1) ACD
KOC 1.69 x 105 pH 3; Temp: 25 ° c (1) ACD
KOC 1.74 x 105 pH 4; Temp: 25 ° c (1) ACD
KOC 1.74 x 105 pH 5; Temp: 25 ° c (1) ACD
KOC 1.71 x 105 pH 6; Temp: 25 ° c (1) ACD
KOC 1.40 x 105 pH 7; Temp: 25 ° c (1) ACD
KOC 50700 pH 8; Temp: 25 ° c (1) ACD
KOC 8320 pH 9; Temp: 25 ° c (1) ACD
KOC 2430 pH 10; Temp: 25 ° c (1) ACD
logi 6.44 pH 1; Temp: 25 ° c (1) ACD
logi 6.97 pH 2; Temp: 25 ° c (1) ACD
logi 7.09 pH 3; Temp: 25 ° c (1) ACD
logi 7.11 pH 4; Temp: 25 ° c (1) ACD
logi 7.11 pH 5; Temp: 25 ° c (1) ACD
logi 7.10 pH 6; Temp: 25 ° c (1) ACD
logi 7.01 pH 7; Temp: 25 ° c (1) ACD
logi 6.57 pH 8; Temp: 25 ° c (1) ACD
logi 5.78 pH 9; Temp: 25 ° c (1) ACD
logi 5.25 pH 10; Temp: 25 ° c (1) ACD
Logp 7.109 ± 0.766 Temp: 25 ° c (1) ACD
Umumunyifu wa ndani 5.6 x 10-6 g/l Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 2.6 x 10-5 g/l pH 1; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 7.3 x 10-6 g/l pH 2; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 5.8 x 10-6 g/l pH 3; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 5.6 x 10-6 g/l pH 4; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 5.6 x 10-6 g/l pH 5; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 5.7 x 10-6 g/l pH 6; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 7.0 x 10-6 g/l pH 7; Temp: 25 ° c (1) ACD

 

Mali Thamani Hali Chanzo
Umumunyifu wa wingi 1.9 x 10-5 g/l pH 8; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 1.2 x 10-4 g/l pH 9; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 4.0 x 10-4 g/l pH 10; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 7.0 x 10-6 g/l Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c (1) ACD
Umumunyifu wa ndani wa molar 7.6 x 10-9 mol/l Temp: 25 ° c (1) ACD
Umumunyifu wa molar 3.6 x 10-8 mol/l pH 1; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.0 x 10-8 mol/l pH 2; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 7.9 x 10-9 mol/l pH 3; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 7.7 x 10-9 mol/l pH 4; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 7.7 x 10-9 mol/l pH 5; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 7.8 x 10-9 mol/l pH 6; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 9.6 x 10-9 mol/l pH 7; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 2.6 x 10-8 mol/l pH 8; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.6 x 10-7 mol/l pH 9; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 5.5 x 10-7 mol/l pH 10; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 9.5 x 10-9 mol/l Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c (1) ACD
Uzito wa Masi 731.79    
PKA 7.87 ± 0.43 Templeti nyingi za asidi: 25 ° C. (1) ACD
PKA 1.39 ± 0.10 Muda wa msingi zaidi: 25 ° C. (1) ACD

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Wiani

Mali Thamani Hali Chanzo
Wiani 1.31 ± 0.1 g/cm3 Temp: 20 ° C; Bonyeza: 760 Torr (1) ACD
Kiasi cha molar 556.9 ± 7.0 cm3/mol Temp: 20 ° C; Bonyeza: 760 Torr (1) ACD

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Lipinski

Mali Thamani Hali Chanzo
Vifungo vya mzunguko wa bure 15 (1) ACD
Wapokeaji 13 (1) ACD
H wafadhili 2 (1) ACD
H wafadhili/jumla ya jumla 15 (1) ACD
 

 

Mali Thamani Hali Chanzo
Logp 7.109 ± 0.766 Temp: 25 ° c (1) ACD
Uzito wa Masi 731.79    

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Muundo unaohusiana

Mali Thamani

Hali

Chanzo
Eneo la uso wa polar 148 A2 (1) ACD

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Utabiri uliotabiriwa

Spectra inapatikana
1H NMR
13C NMR


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