C43H55N4O10P Wridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)-5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)
Rhif Cofrestru CAS
163878-63-5
H302
Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
Pwysau Moleciwlaidd | 818.89 | - |
pKa (Rhagfynegedig) | 9.55±0.10 | Tymheredd Mwyaf Asidig: 25 °C |
GWENAU Canonaidd
N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)N(C(C)C)C(C)C
GWÊNAU Isomerig
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5=CC=CC=C5
InChI
InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26-25-50-6)46-27-34(2) 8-54-43(32-13-10-9-11-14-32,33-15-19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/eiliad
Allwedd InChI
YFRRKZDUDXHJNC-KZQAAKLLSA-N
17 Enw Eraill ar gyfer y Sylwedd hwn
Wridin, 5′ -O- [bis(4-methoxyffenyl)ffenylmethyl]-2′ -O-(2-methoxyethyl)-5-methyl-, 3′-[2-cyanoethyl bis(1-methylethyl)ffosffor
amidit] (9CI); 10: PN: US20030212017 TUDALEN: 18 RNA honedig; 11: PN: US20030211606 TUDALEN: 18 RNA honedig; 13: PN: US20040
005569 TUDALEN: 21 RNA honedig; 13: PN: US20040006030 TUDALEN: 22 RNA honedig; 13: PN: US20040014048 TUDALEN: 19 RNA honedig; 13: PN: US20040014049 TUDALEN: 19 RNA honedig; 14: PN: US20030198965 TUDALEN: 19 RNA honedig; 14: PN: US20040005565 TUDALEN: 17- 22 RNA honedig; 14: PN: US20040005570 TUDALEN: 19 RNA honedig; 14: PN: US20040014047 TUDALEN: 19 RNA honedig; 14: PN: US20040
014699 TUDALEN: 19 RNA honedig; 15: PN: US20040014050 TUDALEN: 19 RNA honedig; 15: PN: US20040014051 TUDALEN: 21 RNA honedig; 15:
PN: WO03106645 TUDALEN: 69 RNA honedig; 16: PN: US20040006029 TUDALEN: 22 RNA honedig; 87: PN: US20040005707 TUDALEN: 19 RNA honedig
Spectra sydd ar gael
1H NMR
13C NMR
NMR Hetero
Eiddo sydd ar gael
Biolegol
Cemegol
Lipinski
Cysylltiedig â Strwythur
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Ffactor Biogrynodiad | 348 | pH 1; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 2810 | pH 2; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 21100 | pH 3; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 63100 | pH 4; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 78800 | pH 5; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 80800 | pH 6; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 80800 | pH 7; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 78800 | pH 8; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 63400 | pH 9; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 21800 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Koc | 487 | pH 1; Tymheredd: 25 °C | (1) ACD |
Koc | 3940 | pH 2; Tymheredd: 25 °C | (1) ACD |
Koc | 29600 | pH 3; Tymheredd: 25 °C | (1) ACD |
Koc | 88400 | pH 4; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Koc | 1.10 x 105 | pH 5; Tymheredd: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 6; Tymheredd: 25 °C | (1) ACD |
Koc | 1.13 x 105 | pH 7; Tymheredd: 25 °C | (1) ACD |
Koc | 1.10 x 105 | pH 8; Tymheredd: 25 °C | (1) ACD |
Koc | 88800 | pH 9; Tymheredd: 25 °C | (1) ACD |
Koc | 30600 | pH 10; Tymheredd: 25 °C | (1) ACD |
logD | 4.39 | pH 1; Tymheredd: 25 °C | (1) ACD |
logD | 5.30 | pH 2; Tymheredd: 25 °C | (1) ACD |
logD | 6.18 | pH 3; Tymheredd: 25 °C | (1) ACD |
logD | 6.65 | pH 4; Tymheredd: 25 °C | (1) ACD |
logD | 6.75 | pH 5; Tymheredd: 25 °C | (1) ACD |
logD | 6.76 | pH 6; Tymheredd: 25 °C | (1) ACD |
logD | 6.76 | pH 7; Tymheredd: 25 °C | (1) ACD |
logD | 6.75 | pH 8; Tymheredd: 25 °C | (1) ACD |
logD | 6.65 | pH 9; Tymheredd: 25 °C | (1) ACD |
logD | 6.19 | pH 10; Tymheredd: 25 °C | (1) ACD |
logP | 6.761±0.669 | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid Màs | 2.0 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 0.046 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 5.7 x 10-3 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 7.6 x 10-4 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 2.5 x 10-4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 2.0 x 10-4 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 2.0 x 10-4 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 2.0 x 10-4 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 2.0 x 10-4 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 2.5 x 10-4 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 7.4 x 10-4 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 2.0 x 10-4 g/L | Dŵr Heb ei Gluffio pH 7.00; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid Molar | 2.4 x 10-7 mol/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.6 x 10-5 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 7.0 x 10-6 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Hydoddedd Molar | 9.3 x 10-7 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 3.1 x 10-7 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 2.5 x 10-7 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 2.4 x 10-7 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 2.4 x 10-7 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 2.5 x 10-7 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 3.1 x 10-7 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 9.0 x 10-7 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 2.4 x 10-7 mol/L | Dŵr Heb ei Gluffio pH 7.00; Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 818.89 | ||
pKa | 9.55±0.10 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
pKa | 3.45±0.70 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Bondiau Cylchdroi'n Rhydd | 21 | (1) ACD | |
Derbynyddion H | 14 | (1) ACD | |
Rhoddwyr H | 1 | (1) ACD | |
Swm Rhoddwr/Derbynydd H | 15 | (1) ACD | |
logP | 6.761±0.669 | Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 818.89 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Eiddo | Gwerth | Ffynhonnell y Cyflwr |
Arwynebedd Wyneb Pegynol | 164 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra sydd ar gael
1H NMR
13C NMR
Côd Datganiad Perygl Ffynhonnell | |
H302 Niweidiol os caiff ei lyncu | Dosbarthu a Labelu Asiantaeth Gemegol Ewrop (ECHA) Rhestr - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf cyffredin, Asiantaeth Gemegol Ewrop (ECHA) Rhestr Dosbarthu a Labelu - Dosbarthiad a labelu hysbysedig - yr hysbysiadau mwyaf difrifol |