![C40H49N4O9P Uridine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-metyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)fosforamidyt] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C40H49N4O9P Uridine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-metyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)fosforamidyt] (ACI) Featured Image](https://www.csnvchem.com/uploads/C40H49N4O9P-Uridine.png)
C40H49N4O9P Uridine, 5′-O-[bis(4-metoksyfenyl)fenylmetyl]-2′-O-metyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)fosforamidyt] (ACI)
CAS-registraasjenûmer
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Wichtige fysike eigenskippen | Wearde | Betingst | |
| Molekulêr gewicht | 760.81 | - | |
| pKa (Foarsein) | 9.39±0.10 | Soerste temperatuer: 25 °C |
Kanonike SMILES
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
Isomere SMILES
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
YnChI
YnChI= 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-kaai
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Oare namme foar dizze stof
Uridine, 5′ -O- [bis(4-metoksyfenyl)fenylmetyl]-2′ -O-metyl-, 3′-[2-cyanoethyl bis(1-methylethyl)fosforamidyt] (9CI)
Spektra beskikber
Mis
Beskikbere eigenskippen
Biologysk
Gemysk
Lipinski
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 254 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 2050 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 15400 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 46000 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 57500 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 58900 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 58900 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 56800 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 42300 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 12200 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Koc | 389 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 3140 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 23600 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 70500 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 88100 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 90300 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 90200 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 87100 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Koc | 64800 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 18700 | pH 10; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| logD | 4.21 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | 5.12 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | 6.00 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | 6.47 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | 6.57 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | 6.58 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | 6.58 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | 6.56 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | 6.44 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | 5.90 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | 6.581±0.646 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 8,4 x 10-5 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 0,019 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 2,4 x 10-3 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 3,1 x 10-4 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,1 x 10-4 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 8,4 x 10-5 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 8,4 x 10-5 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 8,4 x 10-5 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 8,4 x 10-5 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 1,1 x 10-4 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,0 x 10-4 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 8,4 x 10-5 g/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 1,1 x 10-7 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 2,5 x 10-5 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 3,1 x 10-6 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 4,1 x 10-7 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,4 x 10-7 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,1 x 10-7 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,1 x 10-7 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,1 x 10-7 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,1 x 10-7 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 1,5 x 10-7 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 5,2 x 10-7 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 1,1 x 10-7 mol/L | Unbufferd wetter pH 7.00; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 760.81 | ||
| pKa | 9.39±0.10 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Meast basistemperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 18 | (1) ACD | |
| H-akseptors | 13 | (1) ACD | |
| H Donateurs | 1 | (1) ACD | |
| H Donor/Akseptor Som | 14 | (1) ACD | |
| logP | 6.581±0.646 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 760.81 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Boarne fan 'e tastân |
| Poaloerflak | 155 A2 | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
| Koade | Gefaarferklearring | Boarne |
| H335 | Kin yrritaasje fan 'e luchtwegen feroarsaakje | Ekspert gearstald |
| H331 | Giftich as ynademe | Ekspert gearstald |
| H319 | Veroarsaket slimme eachirritaasje | Ekspert gearstald |
| H315 | Feroarsaket hûdirritaasje | Ekspert gearstald |
| Koade | Gefaarferklearring | Boarne |
| H311 | Giftich yn kontakt mei de hûd | Ekspert gearstald |
| H301+H311+H331 | Giftich by ynslikken, yn kontakt mei de hûd of by ynademing | Ekspert gearstald |
| H301 | Giftich as it ynslokt wurdt | Ekspert gearstald |
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