![C40H49N4O9P Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI) Ausgewielt Bild](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O-methyl-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidit] (ACI)
CAS-Registrierungsnummer
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Schlësselphysikalesch Eegeschaften | Wäert | Zoustand | |
| Molekulargewiicht | 760,81 | - | |
| pKa (Virausbezunnen) | 9,39±0,10 | Säurege Temperatur: 25 °C |
Kanonesch Laachen
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
Isomeresch Laachen
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=CC=C(OC)C=C3)(C4=CC=C(OC) C=C4)C5=CC=CC=C5
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)43-24-22-35(45)42-39(43)46)26-50-40(29-1 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,11,25-26H2,1-7H3,
(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1
InChI Schlëssel
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Aneren Numm fir dës Substanz
Uridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3'-[2-cyanoethylbis(1-methylethyl)phosphoramidit] (9CI)
Spektren verfügbar
Mass
Verfügbar Immobilien
Biologesch
Chemesch
Lipinski
Strukturbezunnen
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 254 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 2050 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 15400 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 46000 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 57500 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 58900 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 58900 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 56800 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 42300 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 12200 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Zoustand | Quell |
| 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 |
| Immobilie | Wäert | Zoustand | Quell |
| logD | 4.21 | pH 1; Temperatur: 25 °C | (1) ACD |
| logD | 5.12 | pH 2; Temperatur: 25 °C | (1) ACD |
| logD | 6.00 Auer | 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 |
| Masse intrinsesch Léislechkeet | 8,4 x 10-5 g/L | Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 0,019 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 2,4 x 10-3 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 3,1 x 10-4 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,1 x 10⁻⁴ g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 8,4 x 10-5 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 8,4 x 10-5 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 8,4 x 10-5 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 8,4 x 10-5 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 1,1 x 10⁻⁴ g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 4,0 x 10⁻⁴ g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masselöslechkeet | 8,4 x 10-5 g/L | Ongepuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molar intrinsesch Léislechkeet | 1,1 x 10⁻⁶ mol/L | Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 2,5 x 10⁻⁶ mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 3,1 x 10⁻⁶ mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 4,1 x 10⁻⁶ mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,4 x 10⁻⁶ mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,1 x 10⁻⁶ mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,1 x 10⁻⁶ mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,1 x 10⁻⁶ mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,1 x 10⁻⁶ mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molar Löslechkeet | 1,5 x 10⁻⁶ mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 5,2 x 10⁻⁶ mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Löslechkeet | 1,1 x 10⁻⁶ mol/L | Ongepuffert Waasser pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 760,81 | ||
| pKa | 9,39±0,10 | Säurege Temperatur: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Basis Temperatur: 25 °C | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Bindungen | 18 | (1) ACD | |
| H-Akzeptoren | 13 | (1) ACD | |
| H Spender | 1 | (1) ACD | |
| H Donateur/Akzeptant Zomm | 14 | (1) ACD | |
| logP | 6,581±0,646 | Temperatur: 25 °C | (1) ACD |
| Molekulargewiicht | 760,81 |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Immobilie | Wäert | Quell vun der Konditioun |
| Polarfläche | 155 A2 | (1) ACD |
(1) Berechent mat der Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektren verfügbar
1H NMR
13C NMR
| Code | Geforenausso | Quell |
| H335 | Kann Atmungsreizungen verursaachen | Expert-kuréiert |
| H331 | Gëfteg wann et inhaléiert gëtt | Expert-kuréiert |
| H319 | Verursaacht eescht Aenirritatiounen | Expert-kuréiert |
| H315 | Verursaacht Hautreizungen | Expert-kuréiert |
| Code | Geforenausso | Quell |
| H311 | Gëfteg a Kontakt mat der Haut | Expert-kuréiert |
| H301+H311+H331 | Gëfteg wann et verschléckt gëtt, a Kontakt mat der Haut oder beim Inhaléiere kënnt | Expert-kuréiert |
| H301 | Gëfteg wann et verschléckt gëtt | Expert-kuréiert |
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