![C36H39N5O8 Guanosin, 5'-O- [Bis (4-Methoxyphenyl) phenylmethyl] -2'-o-methyl-n- (2-methyl-1-oxopropyl)-(9Ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 Guanosin, 5'-O- [Bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl-n- (2-methyl-1-oxopropyl)-(9Ci, ACI) enthielt Bild](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 Guanosin, 5'-O- [Bis (4-Methoxyphenyl) phenylmethyl] -2'-o-methyl-n- (2-methyl-1-oxopropyl)-(9Ci, ACI)
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 669.72 | - |
| Dichte (vorhergesagt) | 1,35 ± 0,1 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr |
| PKA (vorhergesagt) | 9,16 ± 0,20 | Säurigste Temperatur: 25 ° C |
Kanonisches Lächeln 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
Isomeres Lächeln
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) c (c) c (c5 = cc = cc = c (C4) C (OC) C (OC) C (OC) C (OC) C (OC) C (C6)
= CC = C6
Inchi
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 (22-9-6-8-34) 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, (H2,38,39,40,43,44)/T27-, 29-34-, 30-34-, 30-34-, 30-34-, 30-34-, 30-34-, 30-34-, 30-34-, 30-, 30-34-, 30-, 30-34-, 30-34-, 30-, 30-34-, 30-, 30-34-, 30-, 30-34-, 30-, 30-34-, 30-, 30-, 30-34-, 30-, 30-, 30-34-, 30-, 30-, 30-, 30-34-, 30-, 30-34-, 30-, 30-34-
-/M1/S1
Inchi -Schlüssel
Isqljogrnuqhjx-wifiAcMtsa-n
1 anderer Name für diese Substanz
5'-o- [Bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyl-n- (2-methyl-1-oxopropyl) Guanosin (ACI))
| Eigenschaften verfügbar |
| Biologisch |
| Chemikalie |
| Dichte |
| Lipinski |
| Struktur verwandt |
Biologisch
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 797 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2030 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2400 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2450 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2450 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2450 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2420 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2170 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 1070 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 195 | pH 10; Temperatur: 25 ° C. | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Chemikalie
| Eigentum | Wert | Zustand | Quelle |
| Koc | 3020 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Koc | 7680 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Koc | 9100 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Koc | 9270 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Koc | 9290 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Koc | 9280 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Koc | 9170 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Koc | 8220 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Koc | 4050 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Koc | 737 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.27 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.68 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| logd | 4.75 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.76 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.76 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.76 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.76 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.71 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| logd | 4.40 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| logd | 3.66 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logp | 4,763 ± 0,722 | Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Massenlöslichkeit | 3,1 x 10-4 g/l | Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 9,4 x 10-4 g/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,7 x 10-4 g/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-4 g/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-4 g/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-4 g/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-4 g/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-4 g/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,5 x 10-4 g/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 7,4 x 10-4 g/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,9 x 10-3 g/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-4 g/l | Abgelaufenes Wasser pH 6,99; Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Molflöslichkeit | 4,6 x 10-7 mol/l | Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-6 mol/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,5 x 10-7 mol/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 4,7 x 10-7 mol/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 4,6 x 10-7 mol/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 4,6 x 10-7 mol/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 4,6 x 10-7 mol/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 4,6 x 10-7 mol/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,2 x 10-7 mol/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,1 x 10-6 mol/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,8 x 10-6 mol/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 4,6 x 10-7 mol/l | Abgelaufenes Wasser pH 6,99; Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 669.72 | ||
| PKA | 9,16 ± 0,20 | Säurigste Temperatur: 25 ° C | (1) ACD |
| PKA | 1,73 ± 0,10 | Grundlegendste Temperatur: 25 ° C | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Dichte
| Eigentum | Wert | Zustand | Quelle |
| Dichte | 1,35 ± 0,1 g/cm3 | Temperatur: 20 ° C; Drücken Sie: 760 Torr | (1) ACD |
| Molvolumen | 494,4 ± 7,0 cm3/mol | Temperatur: 20 ° C; Drücken Sie: 760 Torr | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Lipinski
| Eigentum | Wert | Zustand | Quelle |
| Frei rotierbare Bindungen | 12 | (1) ACD | |
| H Akzeptoren | 13 | (1) ACD | |
| H Spender | 3 | (1) ACD | |
| H Spender/Akzeptorsum | 16 | (1) ACD | |
| logp | 4,763 ± 0,722 | Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 669.72 |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Struktur verwandt
| Eigentum | Wert | Zustand | Quelle |
| Polare Oberfläche | 155 A2 | (1) ACD | |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Spektren verfügbar
1H NMR
13c nmr
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