C30H29FN2O7 mkojo, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'- fluoro- (9ci, ACI)

Bidhaa

C30H29FN2O7 mkojo, 5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'- fluoro- (9ci, ACI)

Habari ya kimsingi:


Maelezo ya bidhaa

Vitambulisho vya bidhaa

Mali ya mwili

Sifa muhimu za mwili Thamani Hali
Uzito wa Masi 548.56 -
Hatua ya kuyeyuka (majaribio) 118-120 ° C. -
Uzani (uliotabiriwa) 1.38 ± 0.1 g/cm3 Temp: 20 ° C; Bonyeza: 760 Torr
PKA (alitabiri) 9.39 ± 0.10 Templeti nyingi za asidi: 25 ° C.

Majina mengine na vitambulisho

Tabasamu za Canonical O = C1c = Cn (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2F
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (F) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = Cc = Cc = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C5 = C = C5 = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C = C5 = C =
Inchi
Inchi = 1S/C30H29FN2O7/C1-37-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (38-2) 15-11-21) 39-18-24-27 (35) 28 (40- 28
-17-16-25 (34) 32-29 (33) 36/H3-17,24,26-28,35h, 18h2,1-2h3, (h, 32,34,36)/t24-, 26-, 27-, 28-/m1/s1
Ufunguo wa Inchi
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Jina lingine kwa dutu hii
5'-O- [BIS (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluorouridine (ACI)

Mali ya majaribio

Mali inapatikana
Mafuta

Mafuta

Mali Thamani Hali Chanzo
Hatua ya kuyeyuka 118-120 ° 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 3580 pH 1; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 3580 pH 2; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 3580 pH 3; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 3580 pH 4; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 3580 pH 5; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 3580 pH 6; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 3570 pH 7; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 3430 pH 8; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 2500 pH 9; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 689 pH 10; Temp: 25 ° c (1) ACD

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Kemikali

Mali Thamani Hali Chanzo
KOC 12200 pH 1; Temp: 25 ° c (1) ACD
KOC 12200 pH 2; Temp: 25 ° c (1) ACD
KOC 12200 pH 3; Temp: 25 ° c (1) ACD
KOC 12200 pH 4; Temp: 25 ° c (1) ACD
KOC 12200 pH 5; Temp: 25 ° c (1) ACD
KOC 12200 pH 6; Temp: 25 ° c (1) ACD
KOC 12100 pH 7; Temp: 25 ° c (1) ACD
KOC 11700 pH 8; Temp: 25 ° c (1) ACD
KOC 8480 pH 9; Temp: 25 ° c (1) ACD
KOC 2340 pH 10; Temp: 25 ° c (1) ACD
logi 4.98 pH 1; Temp: 25 ° c (1) ACD
logi 4.98 pH 2; Temp: 25 ° c (1) ACD
logi 4.98 pH 3; Temp: 25 ° c (1) ACD
logi 4.98 pH 4; Temp: 25 ° c (1) ACD
logi 4.98 pH 5; Temp: 25 ° c (1) ACD
logi 4.98 pH 6; Temp: 25 ° c (1) ACD
logi 4.98 pH 7; Temp: 25 ° c (1) ACD
logi 4.96 pH 8; Temp: 25 ° c (1) ACD
logi 4.82 pH 9; Temp: 25 ° c (1) ACD
logi 4.26 pH 10; Temp: 25 ° c (1) ACD
Logp 4.979 ± 0.563 Temp: 25 ° c (1) ACD
Umumunyifu wa ndani 9.9 x 10-5 g/l Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 9.9 x 10-5 g/l pH 1; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 9.9 x 10-5 g/l pH 2; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 9.9 x 10-5 g/l pH 3; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 9.9 x 10-5 g/l pH 4; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 9.9 x 10-5 g/l pH 5; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 9.9 x 10-5 g/l pH 6; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 9.9 x 10-5 g/l pH 7; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 9.9 x 10-5 g/l pH 8; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 1.4 x 10-4 g/l pH 9; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 5.0 x 10-4 g/l pH 10; Temp: 25 ° c (1) ACD

 

Mali Thamani Hali Chanzo
Umumunyifu wa wingi 9.9 x 10-5 g/l Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c (1) ACD
Umumunyifu wa ndani wa molar 1.8 x 10-7 mol/l Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.8 x 10-7 mol/l pH 1; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.8 x 10-7 mol/l pH 2; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.8 x 10-7 mol/l pH 3; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.8 x 10-7 mol/l pH 4; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.8 x 10-7 mol/l pH 5; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.8 x 10-7 mol/l pH 6; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.8 x 10-7 mol/l pH 7; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.8 x 10-7 mol/l pH 8; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 2.5 x 10-7 mol/l pH 9; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 9.2 x 10-7 mol/l pH 10; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 1.8 x 10-7 mol/l Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c (1) ACD
Uzito wa Masi 548.56    
PKA 9.39 ± 0.10 Templeti nyingi za asidi: 25 ° C. (1) ACD

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Wiani

Mali Thamani Hali Chanzo
Wiani 1.38 ± 0.1 g/cm3 Temp: 20 ° C; Bonyeza: 760 Torr (1) ACD
Kiasi cha molar 395.8 ± 5.0 cm3/mol Temp: 20 ° C; Bonyeza: 760 Torr (1) ACD

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Lipinski

Mali Thamani Hali Chanzo
Vifungo vya mzunguko wa bure 10   (1) ACD
Wapokeaji 9   (1) ACD
H wafadhili 2   (1) ACD
H wafadhili/jumla ya jumla 11   (1) ACD
Logp 4.979 ± 0.563 Temp: 25 ° c (1) ACD
Uzito wa Masi 548.56    

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Muundo unaohusiana

Mali Thamani

Hali

Chanzo
Eneo la uso wa polar 107 A2 (1) ACD

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Utabiri uliotabiriwa

Spectra inapatikana
1H NMR
13C NMR


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