![C33H35N3O8 Cytidin, N-Acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 Cytidin, N-Acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI) Ausgewähltes Bild](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 Cytidin, N-Acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)
| Wichtige physikalische Eigenschaften | Wert | Zustand |
| Molekulargewicht | 601,65 | - |
| Dichte (vorhergesagt) | 1,28 ± 0,1 g/cm3 | Temperatur: 20 °C; Drücken: 760 Torr |
| pKa (vorhergesagt) | 10,19 ± 0,20 | Die sauerste Temperatur: 25 °C |
Kanonisches Lächeln O=C1N=C(C=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O )C2OC)NC(=O)C
Isomeres LÄCHELT C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C(=O)N=C(NC(C)=O)C =C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30( 42-4)29(38)27(44-31)20-43-33(22-8-6-5-7-9-22,23-10-14-25(40-2) 15-11-23)24-12-16-26(41-3)17-13-24/h5-19,27,29-31,38H,20H2,1-4H3,(H,34,35,37 ,39)/t27-,29-,30-,31-/m1/s1
InChI-Schlüssel
FINUHOJILDNELQ-PMFUCWTESA-N
1 Anderer Name für diesen Stoff
N-Acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methylcytidin (ACI)
| Eigenschaften verfügbar |
| Biologisch |
| Chemisch |
| Dichte |
| Lipinski |
| Strukturbezogen |
Biologisch
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 8,87 | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 27.8 | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 171 | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 515 | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 650 | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 668 | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 668 | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 657 | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 560 | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentrationsfaktor | 229 | 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 | 48.6 | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| Koc | 152 | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Koc | 935 | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| Koc | 2820 | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| Koc | 3560 | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| Koc | 3660 | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| Koc | 3660 | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| Koc | 3600 | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| Koc | 3070 | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| Koc | 1250 | pH-Wert 10; Temperatur: 25 °C | (1) ACD |
| logD | 2.14 | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| logD | 2,64 | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| logD | 3.43 | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| logD | 3,91 | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| logD | 4.01 | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| logD | 4.02 | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| logD | 4.02 | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| logD | 4.01 | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| logD | 3,94 | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| logD | 3,55 | pH-Wert 10; Temperatur: 25 °C | (1) ACD |
| logP | 4,021 ± 0,768 | Temperatur: 25 °C | (1) ACD |
| Massenintrinsische Löslichkeit | 1,3 x 10-3 g/L | Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 0,10 g/L | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 0,032 g/L | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 5,2 x 10-3 g/L | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,7 x 10-3 g/L | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,4 x 10-3 g/L | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,3 x 10-3 g/L | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,3 x 10-3 g/L | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,3 x 10-3 g/L | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| Massenlöslichkeit | 1,6 x 10-3 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 | 1,3 x 10-3 g/L | Ungepuffertes Wasser pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molare intrinsische Löslichkeit | 2,2 x 10-6 mol/L | Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 1,7 x 10-4 mol/L | pH-Wert 1; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 5,3 x 10-5 mol/L | pH-Wert 2; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 8,6 x 10-6 mol/L | pH-Wert 3; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 2,9 x 10-6 mol/L | pH-Wert 4; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 2,3 x 10-6 mol/L | pH-Wert 5; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 2,2 x 10-6 mol/L | pH-Wert 6; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 2,2 x 10-6 mol/L | pH-Wert 7; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 2,2 x 10-6 mol/L | pH-Wert 8; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 2,6 x 10-6 mol/L | pH-Wert 9; Temperatur: 25 °C | (1) ACD |
| Molare Löslichkeit | 6,4 x 10-6 mol/L | pH-Wert 10; Temperatur: 25 °C | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 2,2 x 10-6 mol/L | Ungepuffertes Wasser pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molekulargewicht | 601,65 | ||
| pKa | 10,19 ± 0,20 | Die sauerste Temperatur: 25 °C | (1) ACD |
| pKa | 3,57 ± 0,20 | 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 | 1,28 ± 0,1 g/cm3 | Temperatur: 20 °C; Drücken: 760 Torr | (1) ACD |
| Molares Volumen | 466,5 ± 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 | 11 | (1) ACD | |
| H-Akzeptoren | 11 | (1) ACD | |
| H-Spender | 2 | (1) ACD | |
| H-Geber/Akzeptor-Summe | 13 | (1) ACD | |
| logP | 4,021 ± 0,768 | Temperatur: 25 °C | (1) ACD |
| Molekulargewicht | 601,65 |
(1) Berechnet mit der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Strukturbezogen
| Eigentum | Wert | Zustand | Quelle |
| Polaroberfläche | 128 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
![C20H31NO5 Heptansäure, 3-Hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl]amino]-, 1,1-Dimethylethylester, [3R-(3R*,4S*,5S*)]- (9CI) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![C33H39N5O6 L-Ornithinamid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H39N5O6-L-Ornithinamide-300x300.jpg)
![C48H54N7O8P Adenosin, N-Benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P-300x300.png)
![C41H43N3O9 Cytidin, N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- (2-methoxyethyl)-5-methyl- (9CI, ACI) H335, H319, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)
![C31H30N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-on, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-Tetrahydro-3-hydroxy-7-methyl-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo-300x300.jpg)