![C40H49N4O9p Uridin, 5 '-O- [Bis (4-methoxyphenyl) phenylmethyl] -2'--o-methyl-, 3 '-[2-Cyanoethyl n, n-Bis (1-methylethyl) Phosphoramidit (ACI) (ACI) (ACI))](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI) Featured Image](https://cdn.globalso.com/nvchem/C40H49N4O9P-Uridine.png)
C40H49N4O9p Uridin, 5 '-O- [Bis (4-methoxyphenyl) phenylmethyl] -2'--o-methyl-, 3 '-[2-Cyanoethyl n, n-Bis (1-methylethyl) Phosphoramidit (ACI) (ACI) (ACI))
CAS -Registrierungsnummer
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Wichtige physikalische Eigenschaften | Wert | Zustand | |
| Molekulargewicht | 760.81 | - | |
| PKA (vorhergesagt) | 9,39 ± 0,10 | Säurigste Temperatur: 25 ° C |
Kanonisches Lächeln
N#CCCOP (OC1C (OC (N2C = CC (= O) NC2 = O) C1OC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) c = C5) N (c (c) c) c (c) c
Isomeres Lächeln
C (oc [c @@ h] 1 [c @@ h] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (oc) [c @@ h] (O1) n2c (= o) nc (= o) C = C2) (C3 = C (C5) C = C. C3) (C5) (C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4 = C4)
Inchi
Inchi = 1S/C40H49N4O9P/C1-27 (2) 44 (28 (3) 4) 54 (51-25-11-23-41) 53-36-34 (52-38 (37 (36) 49-7) 43-22-35 (45) 42-39 (43) 46) 26-22-35 (45) 42-39 (43) 46) 26-52-40 (45) 2-9-8-10-13-29,30-14-18-32 (47-5) 19-15-30) 31-16-20-33 (48-6) 21-17-31/H8-10,12-22,24,27-28,34,36-38H, 11,25-26H2,1-1-7H3,
(H, 42,45,46)/T34-, 36-, 37-, 38-, 54?/M1/S1
Inchi -Schlüssel
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 anderer Name für diese Substanz
Uridin, 5 ' - -O-[Bis (4-methoxyphenyl) phenylmethyl] -2 '----O-Methyl-, 3 '-[2-Cyanoethyl-Bis (1-methylethyl) phosphoramidit (9ci)
Spektren verfügbar
Masse
Eigenschaften verfügbar
Biologisch
Chemikalie
Lipinski
Struktur verwandt
| Eigentum | Wert | Zustand | Quelle |
| Biokonzentrationsfaktor | 254 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 2050 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 15400 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 46000 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 57500 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 58900 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 58900 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 56800 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 42300 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Biokonzentrationsfaktor | 12200 | pH 10; Temperatur: 25 ° C. | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
| Eigentum | Wert | Zustand | Quelle |
| Koc | 389 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Koc | 3140 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Koc | 23600 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Koc | 70500 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Koc | 88100 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Koc | 90300 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Koc | 90200 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Koc | 87100 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Koc | 64800 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Koc | 18700 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| logd | 4.21 | pH 1; Temperatur: 25 ° C. | (1) ACD |
| logd | 5.12 | pH 2; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.00 | pH 3; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.47 | pH 4; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.57 | pH 5; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.58 | pH 6; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.58 | pH 7; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.56 | pH 8; Temperatur: 25 ° C. | (1) ACD |
| logd | 6.44 | pH 9; Temperatur: 25 ° C. | (1) ACD |
| logd | 5.90 | pH 10; Temperatur: 25 ° C. | (1) ACD |
| logp | 6,581 ± 0,646 | Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Massenlöslichkeit | 8,4 x 10-5 g/l | Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 0,019 g/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 2,4 x 10-3 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 | 1,1 x 10-4 g/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 8,4 x 10-5 g/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 8,4 x 10-5 g/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 8,4 x 10-5 g/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 8,4 x 10-5 g/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 1,1 x 10-4 g/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 4,0 x 10-4 g/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Massenlöslichkeit | 8,4 x 10-5 g/l | Abgelaufenes Wasser pH 7,00; Temperatur: 25 ° C. | (1) ACD |
| Intrinsische Molflöslichkeit | 1,1 x 10-7 mol/l | Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 2,5 x 10-5 mol/l | pH 1; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 3,1 x 10-6 mol/l | pH 2; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 4,1 x 10-7 mol/l | pH 3; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,4 x 10-7 mol/l | pH 4; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,1 x 10-7 mol/l | pH 5; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,1 x 10-7 mol/l | pH 6; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,1 x 10-7 mol/l | pH 7; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,1 x 10-7 mol/l | pH 8; Temperatur: 25 ° C. | (1) ACD |
| Eigentum | Wert | Zustand | Quelle |
| Molare Löslichkeit | 1,5 x 10-7 mol/l | pH 9; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 5,2 x 10-7 mol/l | pH 10; Temperatur: 25 ° C. | (1) ACD |
| Molare Löslichkeit | 1,1 x 10-7 mol/l | Abgelaufenes Wasser pH 7,00; Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 760.81 | ||
| PKA | 9,39 ± 0,10 | Säurigste Temperatur: 25 ° C | (1) ACD |
| PKA | 3,45 ± 0,70 | Grundlegendste Temperatur: 25 ° C | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
| Eigentum | Wert | Zustand | Quelle |
| Frei rotierbare Bindungen | 18 | (1) ACD | |
| H Akzeptoren | 13 | (1) ACD | |
| H Spender | 1 | (1) ACD | |
| H Spender/Akzeptorsum | 14 | (1) ACD | |
| logp | 6,581 ± 0,646 | Temperatur: 25 ° C. | (1) ACD |
| Molekulargewicht | 760.81 |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
| Eigentum | Wert | Zustandsquelle |
| Polare Oberfläche | 155 A2 | (1) ACD |
(1) Berechnet mithilfe der Software V11.02 (ACD/LABS) (ACD/LABS) (© 1994-2023 ACD/Labs)
Spektren verfügbar
1 H nmr
13 c nmr
| Code | Hazard -Erklärung | Quelle |
| H335 | Kann respiratorische Reizungen verursachen | Experten kuratiert |
| H331 | Giftig, wenn es eingeatmet wird | Experten kuratiert |
| H319 | Verursacht schwerwiegende Augenreizungen | Experten kuratiert |
| H315 | Verursacht Hautreizungen | Experten kuratiert |
| Code | Hazard -Erklärung | Quelle |
| H311 | Giftig in Kontakt mit Haut | Experten kuratiert |
| H301+H311+H331 | Giftig, wenn er verschluckt, in Kontakt mit Haut oder inhaliert | Experten kuratiert |
| H301 | Giftig, wenn sie verschluckt werden | Experten kuratiert |
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