C30H29FN2O7 fual, 5′-o-[bis (4-methoxyphenyl) feinilmethyl] -2′-Deoxy-2′- fluoro- (9ci, ACI)

toradh

C30H29FN2O7 fual, 5′-o-[bis (4-methoxyphenyl) feinilmethyl] -2′-Deoxy-2′- fluoro- (9ci, ACI)

Faisnéis bhunúsach:


Sonraí Táirgí

Clibeanna Táirgí

Airíonna fisiceacha

Príomh -airíonna fisiceacha Luach Coinníollacha a chur le
Meáchan móilíneach 548.56 -
Leáphointe (turgnamhach) 118-120 ° C. -
Dlús (tuartha) 1.38 ± 0.1 g/cm3 TEMP: 20 ° C; Brúigh: 760 Torr
PKA (tuartha) 9.39 ± 0.10 An luas is aigéid: 25 ° C.

Ainmneacha agus aitheantóirí eile

Smiles Canónach 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
Smiles isiméireacha 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 = CC = C5
Orlach
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) 26 (31) 28 (40-24) 33 33
-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
Eochair Inchi
Cssfzsszxoccjb-yuloidqlsa-n
1 ainm eile ar an tsubstaint seo
5′-o-[bis (4-methoxyphenyl) feinilmethyl] -2′-Deoxy-2′-fluorouridine (ACI) (ACI)

Airíonna turgnamhacha

Airíonna atá ar fáil
Teirmeach

Teirmeach

Maoin Luach Coinníollacha a chur le Aimsigh
Leáphointe 118-120 ° C. (1) CAS

(1) Penjarla, Srishylam; Nucleosides, nucleotides & aigéid núicléasacha, (2018), 37 (4), 232-247, Caplus

Speictream turgnamhach

Speictrim ar fáil
1H NMR
13c 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 3580 pH 1; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 3580 pH 2; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 3580 pH 3; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 3580 pH 4; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 3580 pH 5; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 3580 pH 6; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 3570 pH 7; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 3430 pH 8; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 2500 pH 9; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 689 pH 10; TEMP: 25 ° C. (1) ACD

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Ceimiceán

Maoin Luach Coinníollacha a chur le Aimsigh
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
logáil 4.98 pH 1; TEMP: 25 ° C. (1) ACD
logáil 4.98 pH 2; TEMP: 25 ° C. (1) ACD
logáil 4.98 pH 3; TEMP: 25 ° C. (1) ACD
logáil 4.98 pH 4; TEMP: 25 ° C. (1) ACD
logáil 4.98 pH 5; TEMP: 25 ° C. (1) ACD
logáil 4.98 pH 6; TEMP: 25 ° C. (1) ACD
logáil 4.98 pH 7; TEMP: 25 ° C. (1) ACD
logáil 4.96 pH 8; TEMP: 25 ° C. (1) ACD
logáil 4.82 pH 9; TEMP: 25 ° C. (1) ACD
logáil 4.26 pH 10; TEMP: 25 ° C. (1) ACD
logáil 4.979 ± 0.563 TEMP: 25 ° C. (1) ACD
Aifreann Intreach intreach 9.9 x 10-5 g/l TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 9.9 x 10-5 g/l pH 1; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 9.9 x 10-5 g/l pH 2; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 9.9 x 10-5 g/l pH 3; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 9.9 x 10-5 g/l pH 4; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 9.9 x 10-5 g/l pH 5; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 9.9 x 10-5 g/l pH 6; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 9.9 x 10-5 g/l pH 7; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 9.9 x 10-5 g/l pH 8; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 1.4 x 10-4 g/l pH 9; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 5.0 x 10-4 g/l pH 10; TEMP: 25 ° C. (1) ACD

 

Maoin Luach Coinníollacha a chur le Aimsigh
Aifreann tuaslagthachta 9.9 x 10-5 g/l Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. (1) ACD
Intuaslagthacht intreach molar 1.8 x 10-7 mol/l TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.8 x 10-7 mol/l pH 1; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.8 x 10-7 mol/l pH 2; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.8 x 10-7 mol/l pH 3; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.8 x 10-7 mol/l pH 4; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.8 x 10-7 mol/l pH 5; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.8 x 10-7 mol/l pH 6; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.8 x 10-7 mol/l pH 7; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.8 x 10-7 mol/l pH 8; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 2.5 x 10-7 mol/l pH 9; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 9.2 x 10-7 mol/l pH 10; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.8 x 10-7 mol/l Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. (1) ACD
Meáchan móilíneach 548.56    
pka 9.39 ± 0.10 An luas is aigéid: 25 ° C. (1) ACD

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Dlús

Maoin Luach Coinníollacha a chur le Aimsigh
Dlús 1.38 ± 0.1 g/cm3 TEMP: 20 ° C; Brúigh: 760 Torr (1) ACD
Toirt molar 395.8 ± 5.0 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 10   (1) ACD
H Glacadóirí 9   (1) ACD
Hontóirí H. 2   (1) ACD
H suim deontóra/glacadóir 11   (1) ACD
logáil 4.979 ± 0.563 TEMP: 25 ° C. (1) ACD
Meáchan móilíneach 548.56    

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A bhaineann le struchtúr

Maoin Luach

Coinníollacha a chur le

Aimsigh
Achar dromchla polar 107 A2 (1) ACD

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Speictrim tuartha

Speictrim ar fáil
1H NMR
13c NMR


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