C33H35N3O8 cytidine, N-acetyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- methyl- (9ci, ACI)

Bidhaa

C33H35N3O8 cytidine, N-acetyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o- methyl- (9ci, ACI)

Habari ya kimsingi:


Maelezo ya bidhaa

Vitambulisho vya bidhaa

Mali ya mwili

Sifa muhimu za mwili Thamani Hali
Uzito wa Masi 601.65 -
Uzani (uliotabiriwa) 1.28 ± 0.1 g/cm3 Temp: 20 ° C; Bonyeza: 760 Torr
PKA (alitabiri) 10.19 ± 0.20 Templeti nyingi za asidi: 25 ° C.

Majina mengine na vitambulisho

Tabasamu za Canonical O = C1N = C (C = CN1C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OC) NC (= O) C.
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C (= O) N = C (NC (C) = O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4)
Inchi
Inchi = 1S/C33H35N3O8/C1-21 (37) 34-28-18-19-36 (32 (39) 35-28) 31-30 (42-4) 29 (38) 27 (44-31) 20-43-33 (22-8-6-9-22,22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22-22 15-11-23) 24-12-16-26 (41-3) 17-13-24/H5-19,27,29-31,38h, 20h2,1-4h3, (h, 34,35,37,39)/t27-, 29-, 30-, 31-/m1/s1
Ufunguo wa Inchi
Finuhojildnelq-pmfucwtesa-n
1 Jina lingine kwa dutu hii
N-acetyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methylcytidine (ACI)

Mali zilizotabiriwa

Mali inapatikana
Kibaolojia
Kemikali
Wiani
Lipinski
Muundo unaohusiana

Kibaolojia

Mali Thamani Hali Chanzo
Sababu ya bioconcentration 8.87 pH 1; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 27.8 pH 2; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 171 pH 3; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 515 pH 4; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 650 pH 5; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 668 pH 6; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 668 pH 7; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 657 pH 8; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 560 pH 9; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 229 pH 10; Temp: 25 ° c (1) ACD

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Kemikali

Mali Thamani Hali Chanzo
KOC 48.6 pH 1; Temp: 25 ° c (1) ACD
KOC 152 pH 2; Temp: 25 ° c (1) ACD
KOC 935 pH 3; Temp: 25 ° c (1) ACD
KOC 2820 pH 4; Temp: 25 ° c (1) ACD
KOC 3560 pH 5; Temp: 25 ° c (1) ACD
KOC 3660 pH 6; Temp: 25 ° c (1) ACD
KOC 3660 pH 7; Temp: 25 ° c (1) ACD
KOC 3600 pH 8; Temp: 25 ° c (1) ACD
KOC 3070 pH 9; Temp: 25 ° c (1) ACD
KOC 1250 pH 10; Temp: 25 ° c (1) ACD
logi 2.14 pH 1; Temp: 25 ° c (1) ACD
logi 2.64 pH 2; Temp: 25 ° c (1) ACD

 

Mali Thamani Hali Chanzo
logi 3.43 pH 3; Temp: 25 ° c (1) ACD
logi 3.91 pH 4; Temp: 25 ° c (1) ACD
logi 4.01 pH 5; Temp: 25 ° c (1) ACD
logi 4.02 pH 6; Temp: 25 ° c (1) ACD
logi 4.02 pH 7; Temp: 25 ° c (1) ACD
logi 4.01 pH 8; Temp: 25 ° c (1) ACD
logi 3.94 pH 9; Temp: 25 ° c (1) ACD
logi 3.55 pH 10; Temp: 25 ° c (1) ACD
Logp 4.021 ± 0.768 Temp: 25 ° c (1) ACD
Umumunyifu wa ndani 1.3 x 10-3 g/l Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 0.10 g/l pH 1; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 0.032 g/l pH 2; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 5.2 x 10-3 g/l pH 3; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 1.7 x 10-3 g/l pH 4; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 1.4 x 10-3 g/l pH 5; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 1.3 x 10-3 g/l pH 6; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 1.3 x 10-3 g/l pH 7; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 1.3 x 10-3 g/l pH 8; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 1.6 x 10-3 g/l pH 9; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 3.9 x 10-3 g/l pH 10; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 1.3 x 10-3 g/l Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c (1) ACD
Umumunyifu wa ndani wa molar 2.2 x 10-6 mol/l Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.7 x 10-4 mol/l pH 1; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 5.3 x 10-5 mol/l pH 2; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 8.6 x 10-6 mol/l pH 3; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 2.9 x 10-6 mol/l pH 4; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 2.3 x 10-6 mol/l pH 5; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 2.2 x 10-6 mol/l pH 6; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 2.2 x 10-6 mol/l pH 7; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 2.2 x 10-6 mol/l pH 8; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 2.6 x 10-6 mol/l pH 9; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 6.4 x 10-6 mol/l pH 10; Temp: 25 ° c (1) ACD

 

Mali Thamani Hali Chanzo
Umumunyifu wa molar 2.2 x 10-6 mol/l Maji yasiyokuwa na maji pH 6.99; Temp: 25 ° c (1) ACD
Uzito wa Masi 601.65    
PKA 10.19 ± 0.20 Templeti nyingi za asidi: 25 ° C. (1) ACD
PKA 3.57 ± 0.20 Muda wa msingi zaidi: 25 ° C. (1) ACD

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Wiani

Mali Thamani Hali Chanzo
Wiani 1.28 ± 0.1 g/cm3 Temp: 20 ° C; Bonyeza: 760 Torr (1) ACD
Kiasi cha molar 466.5 ± 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 11   (1) ACD
Wapokeaji 11   (1) ACD
H wafadhili 2   (1) ACD
H wafadhili/jumla ya jumla 13   (1) ACD
Logp 4.021 ± 0.768 Temp: 25 ° c (1) ACD
Uzito wa Masi 601.65    

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Muundo unaohusiana

Mali Thamani

Hali

Chanzo
Eneo la uso wa polar 128 A2 (1) ACD

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Utabiri uliotabiriwa

Spectra inapatikana
1H NMR
13C NMR


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