C44H49N5O7SI adenosine, N-Benzoyl-5′-O-O-[4-methoxyphenyl) phenylmethyl] -2'- [(1,1-dimethylethyl) dimethylsilyl]-(9ci, ACI)

toradh

C44H49N5O7SI adenosine, N-Benzoyl-5′-O-O-[4-methoxyphenyl) phenylmethyl] -2'- [(1,1-dimethylethyl) dimethylsilyl]-(9ci, ACI)

Faisnéis bhunúsach:


Sonraí Táirgí

Clibeanna Táirgí

Airíonna fisiceacha

Príomh -airíonna fisiceacha Luach Coinníollacha a chur le
Meáchan móilíneach 787.98 -
Dlús (tuartha) 1.23 ± 0.1 g/cm3 TEMP: 20 ° C; Brúigh: 760 Torr
PKA (tuartha) 7.87 ± 0.43 An luas is aigéid: 25 ° C.

Ainmneacha agus aitheantóirí eile

Smiles Canónach
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) C3O [Si] (C) C (C) C (C) C = C = C = CC = CC7
Smiles isiméireach
C (OC [c@h] 1o [c@h] ([c@h] (o [si] (c (c) (c) c) (c) c) [c @@ h] 1o) n2c = 3c (n = c2) = c (n (n (n (n C (= o) c4 = cc = cc = c4) n = cn3) (c5 = cc = c (oc) c = c5) (c6 = cc = c (oc) c = c6) c7 = cc = cc = c7
Orlach
Inchi = 1S/C44H49N5O7SI/C1-43 (2,3) 57 (6,7) 56-38-37 (50) 35 (55-42 (38) 49-28-47-36-39 (45-27-46-40 (36) 49) 48-41 (51) 29-14-8-80 (36)) 9) 26-54-44 (30-16-12-9-13-17-30,31-18-22-33 (52-4) 23-19-31) 32-20-24-34 (53-5) 25-21-32/H8-25,27-28,35,37-38,42,50H, 26H2,1-7h3, (H, H, H, H, H, H, H, H, H, H, H, H, H, H, H, H8H2, H, H, H8H2,37-38,42,37, (),).
45,46,48,51)/T35-, 37-, 38-, 42-/M1/S1
Eochair Inchi
Dazigopasnjpcj-gnecsjiwsa-n
2 ainm eile don tsubstaint seo
N-Benzoyl-5′-O-O-[Bis (4-methoxyphenyl) phenylmethyl] -2′-O-[(1,1-dimethylethyl) dimethylsilyl] adenosine (ACI); N6-Benzoyl-5′-O-o-(4,4′- dimethoxytrityl) -2′-o-o-(Tert-Butyldimethylsilyl) adenosine)

Speictream turgnamhach

Speictrim ar fáil
1H NMR
Hetero NMR

Airíonna tuartha

Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Dlús
Lipinski
A bhaineann le struchtúr

Bitheolaíoch

Maoin Luach Coinníollacha a chur le Aimsigh
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 1; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 2; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 3; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 4; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 5; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 6; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 7; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 8; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1.00 x 106 pH 9; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 5.41 x 105 pH 10; TEMP: 25 ° C. (1) ACD

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Ceimiceán

Maoin Luach Coinníollacha a chur le Aimsigh
KOC 2.01 x 106 pH 1; TEMP: 25 ° C. (1) ACD
KOC 6.87 x 106 pH 2; TEMP: 25 ° C. (1) ACD
KOC 9.08 x 106 pH 3; TEMP: 25 ° C. (1) ACD
KOC 9.38 x 106 pH 4; TEMP: 25 ° C. (1) ACD
KOC 9.39 x 106 pH 5; TEMP: 25 ° C. (1) ACD
KOC 9.19 x 106 pH 6; TEMP: 25 ° C. (1) ACD
KOC 7.53 x 106 pH 7; TEMP: 25 ° C. (1) ACD

 

Maoin Luach Coinníollacha a chur le Aimsigh
KOC 2.73 x 106 pH 8; TEMP: 25 ° C. (1) ACD
KOC 4.48 x 105 pH 9; TEMP: 25 ° C. (1) ACD
KOC 1.31 x 105 pH 10; TEMP: 25 ° C. (1) ACD
logáil 9.62 pH 1; TEMP: 25 ° C. (1) ACD
logáil 10.15 pH 2; TEMP: 25 ° C. (1) ACD
logáil 10.27 pH 3; TEMP: 25 ° C. (1) ACD
logáil 10.29 pH 4; TEMP: 25 ° C. (1) ACD
logáil 10.29 pH 5; TEMP: 25 ° C. (1) ACD
logáil 10.28 pH 6; TEMP: 25 ° C. (1) ACD
logáil 10.19 pH 7; TEMP: 25 ° C. (1) ACD
logáil 9.75 pH 8; TEMP: 25 ° C. (1) ACD
logáil 8.97 pH 9; TEMP: 25 ° C. (1) ACD
logáil 8.43 pH 10; TEMP: 25 ° C. (1) ACD
logáil 10.291 ± 0.708 TEMP: 25 ° C. (1) ACD
Aifreann Intreach intreach 1.1 x 10-6 g/l TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 4.8 x 10-6 g/l pH 1; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 1.4 x 10-6 g/l pH 2; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 1.1 x 10-6 g/l pH 3; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 1.0 x 10-6 g/L. pH 4; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 1.0 x 10-6 g/L. pH 5; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 1.0 x 10-6 g/L. pH 6; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 1.3 x 10-6 g/L. pH 7; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.5 x 10-6 g/L. pH 8; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 2.2 x 10-5 g/l pH 9; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 7.6 x 10-5 g/l pH 10; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 1.3 x 10-6 g/L. Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. (1) ACD
Intuaslagthacht intreach molar 1.4 x 10-9 mol/l TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 6.1 x 10-9 mol/l pH 1; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.8 x 10-9 mol/l pH 2; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.4 x 10-9 mol/l pH 3; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.3 x 10-9 mol/l pH 4; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.3 x 10-9 mol/l pH 5; TEMP: 25 ° C. (1) ACD

 

Maoin Luach Coinníollacha a chur le Aimsigh
Tuaslagthacht molar 1.3 x 10-9 mol/l pH 6; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.6 x 10-9 mol/l pH 7; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 4.5 x 10-9 mol/l pH 8; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 2.8 x 10-8 mol/l pH 9; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 9.6 x 10-8 mol/l pH 10; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.6 x 10-9 mol/l Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. (1) ACD
Meáchan móilíneach 787.98    
pka 7.87 ± 0.43 An luas is aigéid: 25 ° C. (1) ACD
pka 1.39 ± 0.10 An luas is bunúsaí: 25 ° C. (1) ACD

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Dlús

Maoin Luach Coinníollacha a chur le Aimsigh
Dlús 1.23 ± 0.1 g/cm3 TEMP: 20 ° C; Brúigh: 760 Torr (1) ACD
Toirt molar 639.5 ± 7.0 cm3/mol TEMP: 20 ° C; Brúigh: 760 Torr (1) ACD

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Lipinski

Maoin Luach Coinníollacha a chur le Aimsigh
Bannaí rotatable faoi shaoirse 14   (1) ACD
H Glacadóirí 12   (1) ACD
Hontóirí H. 2   (1) ACD
H suim deontóra/glacadóir 14   (1) ACD
logáil 10.291 ± 0.708 TEMP: 25 ° C. (1) ACD
Meáchan móilíneach 787.98    

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A bhaineann le struchtúr

Maoin Luach

Coinníollacha a chur le

Aimsigh
Achar dromchla polar 139 A2 (1) ACD

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Speictrim tuartha

Speictrim ar fáil
1H NMR
13c NMR


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