![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) Ausgewähltes 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: 760 Torr |
| pKa (vorhergesagt) | 9,16 ± 0,20 | Die sauerste 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)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC
=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(22-9-7-6-8-10-2 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-,30-,34
-/m1/s1
InChI-Schlüssel
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Anderer Name für diesen Stoff
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-N-(2-methyl-1-oxopropyl)guanosin (ACI)
| Eigenschaften verfügbar |
| Biologisch |
| Chemisch |
| Dichte |
| Lipinski |
| Strukturbezogen |
Biologisch
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 797 | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 2030 | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 2400 | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 2450 | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 2450 | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 2450 | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 2420 | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 2170 | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 1070 | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 195 | pH-Wert 10; Temperatur: 25 °C | (1) ACD |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemisch
| Eigentum | Wert | Zustand | Quelle |
| Koc | 3020 | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| Koc | 7680 | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Koc | 9100 | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| Koc | 9270 | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| Koc | 9290 | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| Koc | 9280 | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| Koc | 9170 | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| Koc | 8220 | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| Koc | 4050 | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| Koc | 737 | pH-Wert 10; Temperatur: 25 °C | (1) ACD |
| logD | 4.27 | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| logD | 4,68 | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| logD | 4,75 | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| logD | 4,76 | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| logD | 4,76 | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| logD | 4,76 | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| logD | 4,76 | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| logD | 4.71 | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| logD | 4.40 | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| logD | 3,66 | pH-Wert 10; Temperatur: 25 °C | (1) ACD |
| logP | 4,763 ± 0,722 | Temperatur: 25 °C | (1) ACD |
| Massenintrinsische Löslichkeit | 3,1 x 10-4 g/L | Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 9,4 x 10-4 g/L | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,7 x 10-4 g/L | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-4 g/L | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-4 g/L | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-4 g/L | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-4 g/L | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-4 g/L | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,5 x 10-4 g/L | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 7,4 x 10-4 g/L | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,9 x 10-3 g/L | pH-Wert 10; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 3,1 x 10-4 g/L | Ungepuffertes Wasser pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molare intrinsische Löslichkeit | 4,6 x 10-7 mol/L | Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-6 mol/L | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 5,5 x 10-7 mol/L | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 4,7 x 10-7 mol/L | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 4,6 x 10-7 mol/L | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 4,6 x 10-7 mol/L | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 4,6 x 10-7 mol/L | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 4,6 x 10-7 mol/L | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 5,2 x 10-7 mol/L | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,1 x 10-6 mol/L | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 5,8 x 10-6 mol/L | pH-Wert 10; Temperatur: 25 °C | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 4,6 x 10-7 mol/L | Ungepuffertes Wasser pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molekulargewicht | 669,72 | ||
| pKa | 9,16 ± 0,20 | Die sauerste Temperatur: 25 °C | (1) ACD |
| pKa | 1,73 ± 0,10 | Grundtemperatur: 25 °C | (1) ACD |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dichte
| Eigentum | Wert | Zustand | Quelle |
| Dichte | 1,35 ± 0,1 g/cm3 | Temperatur: 20 °C; Drücken: 760 Torr | (1) ACD |
| Molares Volumen | 494,4 ± 7,0 cm3/mol | Temperatur: 20 °C; Drücken: 760 Torr | (1) ACD |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eigentum | Wert | Zustand | Quelle |
| Frei drehbare Anleihen | 12 | (1) ACD | |
| H-Akzeptoren | 13 | (1) ACD | |
| H-Spender | 3 | (1) ACD | |
| H-Geber/Akzeptor-Summe | 16 | (1) ACD | |
| logP | 4,763 ± 0,722 | Temperatur: 25 °C | (1) ACD |
| Molekulargewicht | 669,72 |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturbezogen
| Eigentum | Wert | Zustand | Quelle |
| Polaroberfläche | 155 A2 | (1) ACD | |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektren verfügbar
1H-NMR
13C-NMR
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