C31H30N2O7 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-moja, 2-[bis (4-methoxy phenyl) phenylmethoxy] methyl] -2,3,3a, 9a-tetrahdro-hyyy-7-7-7-hyydydro-hyydy-hyydro-hyydro-hyydro-hyydro-hyylydro-hyylydro-hyylydro-hyylydro-hyyl-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyyl-7, (2R, 3R, 3AS, 9AR)- (9ci, ACI)

Bidhaa

C31H30N2O7 6H-FURO [2 ′, 3 ′: 4,5] oxazolo [3,2-a] pyrimidin-6-moja, 2-[bis (4-methoxy phenyl) phenylmethoxy] methyl] -2,3,3a, 9a-tetrahdro-hyyy-7-7-7-hyydydro-hyydy-hyydro-hyydro-hyydro-hyydro-hyylydro-hyylydro-hyylydro-hyylydro-hyyl-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyydro-hyyl-7, (2R, 3R, 3AS, 9AR)- (9ci, ACI)

Habari ya kimsingi:


Maelezo ya bidhaa

Vitambulisho vya bidhaa

Mali ya mwili

Sifa muhimu za mwili Thamani Hali
Uzito wa Masi 542.58 -
Kiwango cha kuchemsha (kilitabiriwa) 692.9 ± 65.0 ° C. Bonyeza: 760 Torr
Uzani (uliotabiriwa) 1.33 ± 0.1 g/cm3 Temp: 20 ° C; Bonyeza: 760 Torr
PKA (alitabiri) 12.51 ± 0.60 Templeti nyingi za asidi: 25 ° C.

Majina mengine na vitambulisho

Tabasamu za Canonical O = C1N = C2OC3C (O) C (OC3N2C = C1C) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6
Isomeric Smiles C (OC [C@H] 1O [C @@] 2 ([C@] ([C @@ H] 1O) (OC = 3N2C = C (C) C (= O) N3) [H]) [H]) (C4 = CC = C (OC) C = C4) (C5 = CC = C (C)
Inchi
Inchi = 1S/C31H30N2O7/C1-19-17-33-29-27 (40-30 (33) 32-28 (19) 35) 26 (34) 25 (39-29) 18-38-31 (20-7-5-4-6-8-20,21-9-23 (36-23)
) 22-11-15-24 (37-3) 16-12-22/H4-17,25-27,29,34h, 18h2,1-3h3/t25-, 26-, 27+, 29-/m1/s1
Ufunguo wa Inchi
BQEQCEZNLIKSSH-CITHKVLSSA-N
1 Jina lingine kwa dutu hii
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Majaribio ya majaribio

Spectra inapatikana
1H NMR
13C NMR
Misa

Mali zilizotabiriwa

Mali inapatikana
Kibaolojia
Kemikali
Wiani
Lipinski
Muundo unaohusiana
Mafuta

Kibaolojia

Mali Thamani Hali Chanzo
Sababu ya bioconcentration 2800 pH 1; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 2800 pH 2; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 2800 pH 3; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 2800 pH 4; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 2800 pH 5; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 2800 pH 6; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 2800 pH 7; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 2800 pH 8; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 2800 pH 9; Temp: 25 ° c (1) ACD
Sababu ya bioconcentration 2790 pH 10; Temp: 25 ° c (1) ACD

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Kemikali

Mali Thamani Hali Chanzo
KOC 10200 pH 1; Temp: 25 ° c (1) ACD
KOC 10200 pH 2; Temp: 25 ° c (1) ACD
KOC 10200 pH 3; Temp: 25 ° c (1) ACD
KOC 10200 pH 4; Temp: 25 ° c (1) ACD
KOC 10200 pH 5; Temp: 25 ° c (1) ACD

 

Mali Thamani Hali Chanzo
KOC 10200 pH 6; Temp: 25 ° c (1) ACD
KOC 10200 pH 7; Temp: 25 ° c (1) ACD
KOC 10200 pH 8; Temp: 25 ° c (1) ACD
KOC 10200 pH 9; Temp: 25 ° c (1) ACD
KOC 10200 pH 10; Temp: 25 ° c (1) ACD
logi 4.84 pH 1; Temp: 25 ° c (1) ACD
logi 4.84 pH 2; Temp: 25 ° c (1) ACD
logi 4.84 pH 3; Temp: 25 ° c (1) ACD
logi 4.84 pH 4; Temp: 25 ° c (1) ACD
logi 4.84 pH 5; Temp: 25 ° c (1) ACD
logi 4.84 pH 6; Temp: 25 ° c (1) ACD
logi 4.84 pH 7; Temp: 25 ° c (1) ACD
logi 4.84 pH 8; Temp: 25 ° c (1) ACD
logi 4.84 pH 9; Temp: 25 ° c (1) ACD
logi 4.84 pH 10; Temp: 25 ° c (1) ACD
Logp 4.839 ± 0.618 Temp: 25 ° c (1) ACD
Umumunyifu wa ndani 3.6 x 10-4 g/l Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 3.6 x 10-4 g/l pH 1; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 3.6 x 10-4 g/l pH 2; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 3.6 x 10-4 g/l pH 3; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 3.6 x 10-4 g/l pH 4; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 3.6 x 10-4 g/l pH 5; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 3.6 x 10-4 g/l pH 6; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 3.6 x 10-4 g/l pH 7; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 3.6 x 10-4 g/l pH 8; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 3.6 x 10-4 g/l pH 9; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 3.6 x 10-4 g/l pH 10; Temp: 25 ° c (1) ACD
Umumunyifu wa wingi 3.6 x 10-4 g/l Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c (1) ACD
Umumunyifu wa ndani wa molar 6.6 x 10-7 mol/l Temp: 25 ° c (1) ACD
Umumunyifu wa molar 6.6 x 10-7 mol/l pH 1; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 6.6 x 10-7 mol/l pH 2; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 6.6 x 10-7 mol/l pH 3; Temp: 25 ° c (1) ACD

 

Mali Thamani Hali Chanzo
Umumunyifu wa molar 6.6 x 10-7 mol/l pH 4; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 6.6 x 10-7 mol/l pH 5; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 6.6 x 10-7 mol/l pH 6; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 6.6 x 10-7 mol/l pH 7; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 6.6 x 10-7 mol/l pH 8; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 6.6 x 10-7 mol/l pH 9; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 6.7 x 10-7 mol/l pH 10; Temp: 25 ° c (1) ACD
Umumunyifu wa molar 6.6 x 10-7 mol/l Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c (1) ACD
Uzito wa Masi 542.58    
PKA 12.51 ± 0.60 Templeti nyingi za asidi: 25 ° C. (1) ACD
PKA -4.38 ± 0.60 Muda wa msingi zaidi: 25 ° C. (1) ACD
Shinikizo la mvuke 3.73 x 10-20 Torr Temp: 25 ° c (1) ACD

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Wiani

Mali Thamani Hali Chanzo
Wiani 1.33 ± 0.1 g/cm3 Temp: 20 ° C; Bonyeza: 760 Torr (1) ACD
Kiasi cha molar 404.9 ± 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 9   (1) ACD
Wapokeaji 9   (1) ACD
H wafadhili 1   (1) ACD
H wafadhili/jumla ya jumla 10   (1) ACD
Logp 4.839 ± 0.618 Temp: 25 ° c (1) ACD
Uzito wa Masi 542.58    

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Muundo unaohusiana

Mali Thamani

Hali

Chanzo
Eneo la uso wa polar 99.1 A2 (1) ACD

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Mafuta

Mali Thamani Hali Chanzo
Kiwango cha kuchemsha 692.9 ± 65.0 ° C. Bonyeza: 760 Torr (1) ACD
Enthalpy ya mvuke 106.61 ± 3.0 kJ/mol Bonyeza: 760 Torr (1) ACD
Kiwango cha Flash 372.8 ± 34.3 ° C.   (1) ACD

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Utabiri uliotabiriwa

Spectra inapatikana
1H NMR
13C NMR


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