C36H39N5O8 guanosine, 5′-O-[bis (4-methoxyphenyl) phenylmethyl] -2′-O-meitil- n- (2-methyl-1-oxopropyl)-(9CI, ACI)
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. |
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 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 |
.
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 |
.
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 |
.
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 |
.
A bhaineann le struchtúr
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Achar dromchla polar | 155 A2 | (1) ACD |
.
Speictrim ar fáil
1H NMR
13c NMR