C36H39N5O8 guanosine, 5′-O-[bis (4-methoxyphenyl) phenylmethyl] -2′-O-meitil- n- (2-methyl-1-oxopropyl)-(9CI, ACI)

toradh

C36H39N5O8 guanosine, 5′-O-[bis (4-methoxyphenyl) phenylmethyl] -2′-O-meitil- n- (2-methyl-1-oxopropyl)-(9CI, ACI)

Faisnéis bhunúsach:


Sonraí Táirgí

Clibeanna Táirgí

Airíonna fisiceacha

Príomh -airíonna fisiceacha Luach Coinníollacha a chur le
Meáchan móilíneach 669.72 -
Dlús (tuartha) 1.35 ± 0.1 g/cm3 TEMP: 20 ° C; Brúigh: 760 Torr
PKA (tuartha) 9.16 ± 0.20 An luas is aigéid: 25 ° C.

Ainmneacha agus aitheantóirí eile

Smiles canónacha o = C1N = C (NC (= O) C (C) C) NC2 = C1N = CN2C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3OC C3OC
Smiles isiméireach
C (OC [c@h] 1o [c@h] ([c@h] (oc) [c @@ h] 1o) n2c3 = c (n = c2) c (= o) n = c (nc (c (c) c) = o) n3) (c4 = cc = c (oc) c = c4) (c5 = cc = c (oc) c = c)
= Cc = c6
Orlach
Inchi = 1S/C36H39N5O8/C1-21 (2) 32 (43) 39-35-38-31-28 (33 (44) 40-35) 37-20-41 (31) 34-30 (47-5) 29 (42) 27 (49-34) 19-48-36 (22-9-6-6-8) 27 (49-34) 19-48-36 (22-9-6-8-8-8-8-8-8-8-8- 2,23-11-15-25 (45-3) 16-12-23) 24-13-17-26 (46-4) 18-14-24/H6-18,20-21,27,29-30,34,42H, 19H2,1-5H3, (H2,38,39,40,43,4444)/T27-, 29-, 30-, 34,40,43,43,44)
-/M1/S1
Eochair Inchi
Isqljogrnuqhjx-wifiacmtsa-n
1 ainm eile ar an tsubstaint seo
5′-O-[bis (4-methoxyphenyl) phenylmethyl] -2′-O-methyl-n- (2-meitil-1-oxopropyl) guanosine (ACI)

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 797 pH 1; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 2030 pH 2; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 2400 pH 3; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 2450 pH 4; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 2450 pH 5; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 2450 pH 6; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 2420 pH 7; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 2170 pH 8; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 1070 pH 9; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 195 pH 10; TEMP: 25 ° C. (1) ACD

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Ceimiceán

Maoin Luach Coinníollacha a chur le Aimsigh
KOC 3020 pH 1; TEMP: 25 ° C. (1) ACD
KOC 7680 pH 2; TEMP: 25 ° C. (1) ACD
KOC 9100 pH 3; TEMP: 25 ° C. (1) ACD
KOC 9270 pH 4; TEMP: 25 ° C. (1) ACD
KOC 9290 pH 5; TEMP: 25 ° C. (1) ACD
KOC 9280 pH 6; TEMP: 25 ° C. (1) ACD
KOC 9170 pH 7; TEMP: 25 ° C. (1) ACD
KOC 8220 pH 8; TEMP: 25 ° C. (1) ACD
KOC 4050 pH 9; TEMP: 25 ° C. (1) ACD
KOC 737 pH 10; TEMP: 25 ° C. (1) ACD
logáil 4.27 pH 1; TEMP: 25 ° C. (1) ACD
logáil 4.68 pH 2; TEMP: 25 ° C. (1) ACD

 

Maoin Luach Coinníollacha a chur le Aimsigh
logáil 4.75 pH 3; TEMP: 25 ° C. (1) ACD
logáil 4.76 pH 4; TEMP: 25 ° C. (1) ACD
logáil 4.76 pH 5; TEMP: 25 ° C. (1) ACD
logáil 4.76 pH 6; TEMP: 25 ° C. (1) ACD
logáil 4.76 pH 7; TEMP: 25 ° C. (1) ACD
logáil 4.71 pH 8; TEMP: 25 ° C. (1) ACD
logáil 4.40 pH 9; TEMP: 25 ° C. (1) ACD
logáil 3.66 pH 10; TEMP: 25 ° C. (1) ACD
logáil 4.763 ± 0.722 TEMP: 25 ° C. (1) ACD
Aifreann Intreach intreach 3.1 x 10-4 g/l TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 9.4 x 10-4 g/L pH 1; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.7 x 10-4 g/l pH 2; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.1 x 10-4 g/l pH 3; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.1 x 10-4 g/l pH 4; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.1 x 10-4 g/l pH 5; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.1 x 10-4 g/l pH 6; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.1 x 10-4 g/l pH 7; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.5 x 10-4 g/l pH 8; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 7.4 x 10-4 g/l pH 9; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.9 x 10-3 g/l pH 10; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.1 x 10-4 g/l Uisce neamh -mhaolaithe pH 6.99; TEMP: 25 ° C. (1) ACD
Intuaslagthacht intreach molar 4.6 x 10-7 mol/l TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.4 x 10-6 mol/l pH 1; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 5.5 x 10-7 mol/l pH 2; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 4.7 x 10-7 mol/l pH 3; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 4.6 x 10-7 mol/l pH 4; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 4.6 x 10-7 mol/l pH 5; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 4.6 x 10-7 mol/l pH 6; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 4.6 x 10-7 mol/l pH 7; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 5.2 x 10-7 mol/l pH 8; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.1 x 10-6 mol/l pH 9; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 5.8 x 10-6 mol/l pH 10; TEMP: 25 ° C. (1) ACD

 

Maoin Luach Coinníollacha a chur le Aimsigh
Tuaslagthacht molar 4.6 x 10-7 mol/l Uisce neamh -mhaolaithe pH 6.99; TEMP: 25 ° C. (1) ACD
Meáchan móilíneach 669.72    
pka 9.16 ± 0.20 An luas is aigéid: 25 ° C. (1) ACD
pka 1.73 ± 0.10 An luas is bunúsaí: 25 ° C. (1) ACD

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Dlús

Maoin Luach Coinníollacha a chur le Aimsigh
Dlús 1.35 ± 0.1 g/cm3 TEMP: 20 ° C; Brúigh: 760 Torr (1) ACD
Toirt molar 494.4 ± 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 12   (1) ACD
H Glacadóirí 13   (1) ACD
Hontóirí H. 3   (1) ACD
H suim deontóra/glacadóir 16   (1) ACD
logáil 4.763 ± 0.722 TEMP: 25 ° C. (1) ACD
Meáchan móilíneach 669.72    

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A bhaineann le struchtúr

Maoin Luach

Coinníollacha a chur le

Aimsigh
Achar dromchla polar 155 A2 (1) ACD

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Speictrim tuartha

Speictrim ar fáil
1H NMR
13c NMR


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