![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) Fremhævet billede](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)
CAS-registreringsnummer
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
| Vigtige fysiske egenskaber | Værdi | Tilstand | |
| Molekylvægt | 760,81 | - | |
| pKa (forudsagt) | 9,39±0,10 | Mest sure temperatur: 25 °C |
Kanoniske SMIL
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
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-nøgle
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Andet navn for dette stof
Uridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3'-[2-cyanoethyl bis(1-methylethyl)phosphoramidit] (9CI)
Tilgængelige spektre
Masse
Tilgængelige ejendomme
Biologisk
Kemisk
Lipinski
Strukturrelateret
| Ejendom | Værdi | Tilstand | Kilde |
| Biokoncentrationsfaktor | 254 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 2050 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 15400 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 46000 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 57500 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 58900 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 58900 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 56800 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 42300 | pH 9; Temperatur: 25 °C | (1) ACD |
| Biokoncentrationsfaktor | 12200 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ejendom | Værdi | Tilstand | Kilde |
| 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 |
| Ejendom | Værdi | Tilstand | Kilde |
| 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 |
| Masse iboende opløselighed | 8,4 x 10-5 g/L | Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 0,019 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 2,4 x 10-3 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 3,1 x 10-4 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,1 x 10-4 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 8,4 x 10-5 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 8,4 x 10-5 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 8,4 x 10-5 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 8,4 x 10-5 g/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 1,1 x 10-4 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 4,0 x 10-4 g/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Masseopløselighed | 8,4 x 10-5 g/L | Ubufret vand pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molær intrinsisk opløselighed | 1,1 x 10-7 mol/L | Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 2,5 x 10-5 mol/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 3,1 x 10⁻⁶ mol/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 4,1 x 10-7 mol/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,4 x 10-7 mol/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,1 x 10-7 mol/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,1 x 10-7 mol/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,1 x 10-7 mol/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,1 x 10-7 mol/L | pH 8; Temperatur: 25 °C | (1) ACD |
| Ejendom | Værdi | Tilstand | Kilde |
| Molær opløselighed | 1,5 x 10-7 mol/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 5,2 x 10-7 mol/L | pH 10; Temperatur: 25 °C | (1) ACD |
| Molær opløselighed | 1,1 x 10-7 mol/L | Ubufret vand pH 7,00; Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 760,81 | ||
| pKa | 9,39±0,10 | Mest sure temperatur: 25 °C | (1) ACD |
| pKa | 3,45±0,70 | Mest grundlæggende temperatur: 25 °C | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ejendom | Værdi | Tilstand | Kilde |
| Frit roterbare obligationer | 18 | (1) ACD | |
| H-acceptorer | 13 | (1) ACD | |
| H-donorer | 1 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| logP | 6,581±0,646 | Temperatur: 25 °C | (1) ACD |
| Molekylvægt | 760,81 |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Ejendom | Værdi | Kilde til tilstand |
| Polært overfladeareal | 155 A2 | (1) ACD |
(1) Beregnet ved hjælp af Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Tilgængelige spektre
1H-NMR
13C NMR
| Kode | Fareerklæring | Kilde |
| H335 | Kan forårsage irritation af luftvejene | Ekspertkurateret |
| H331 | Giftig ved indånding | Ekspertkurateret |
| H319 | Forårsager alvorlig øjenirritation | Ekspertkurateret |
| H315 | Forårsager hudirritation | Ekspertkurateret |
| Kode | Fareerklæring | Kilde |
| H311 | Giftig ved kontakt med huden | Ekspertkurateret |
| H301+H311+H331 | Giftig ved indtagelse, kontakt med huden eller indånding | Ekspertkurateret |
| H301 | Giftig ved indtagelse | Ekspertkurateret |
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