C30H30N2O8 Wridin, 5′-O-[bis(4-methoxyffenyl)ffenylmethyl]- (9CI, ACI)
Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
Pwysau Moleciwlaidd | 546.57 | - |
Pwynt Toddi (Arbrofol) | 111-112 °C | Toddydd: Asetat ethyl |
Dwysedd (Rhagfynegedig) | 1.343±0.06 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr |
pKa (Rhagfynegedig) | 9.39±0.10 | Tymheredd Mwyaf Asidig: 25 °C |
GWÊNAU Canonaidd O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O)C2O
GWÊNAU Isomerig C(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)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/C30H30N2O8/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-24-26(34)27(35)28(40-24)32-
17-16-25(33)31-29(32)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H,31,33,36)/t24-,26-,27-,28-/m1/s1
Allwedd InChI
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Enw Arall ar gyfer y Sylwedd hwn
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]wridin (ACI); Wridin, 5′-O-[α,α-bis(p-methoxyphenyl)benzyl]- (7CI); 5′-Dimethoxytrityl wridin; 5′-O-(4,4′-Dimethoxytrityl)wridin
Eiddo sydd ar gael |
Thermol |
Thermol
Eiddo | Gwerth | Cyflwr | Ffynhonnell | |
Pwynt Toddi | 122-123 °C | (1) CAS | ||
Pwynt Toddi | 111-112 °C | Toddydd: | Asetat ethyl | (2) CAS |
Pwynt Toddi | Gweler y Testun Llawn | (3) CAS |
(1) Zekri, Negar; Bwletin Cymdeithas Cemegol Ethiopia, (2010), 24(2), 299-304, CAPlus
(2) Patil, Preman a Ramrao; Cylchgrawn Cemeg Carbohydradau, (2008), 27(5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Llythyrau Tetrahedron, (2004), 45(36), 6737-6739, CAplus
Spectra sydd ar gael
1H NMR
13C NMR
Màs
Eiddo sydd ar gael |
Biolegol |
Cemegol |
Dwysedd |
Lipinski |
Cysylltiedig â Strwythur |
Biolegol
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Ffactor Biogrynodiad | 904 | pH 1; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 904 | pH 2; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 904 | pH 3; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 904 | pH 4; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 904 | pH 5; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 904 | pH 6; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 900 | pH 7; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 861 | pH 8; Tymheredd: 25 °C | (1) ACD |
Ffactor Biogrynodiad | 602 | pH 9; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Ffactor Biogrynodiad | 156 | 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)
Cemegol
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Koc | 4550 | pH 1; Tymheredd: 25 °C | (1) ACD |
Koc | 4550 | pH 2; Tymheredd: 25 °C | (1) ACD |
Koc | 4550 | pH 3; Tymheredd: 25 °C | (1) ACD |
Koc | 4550 | pH 4; Tymheredd: 25 °C | (1) ACD |
Koc | 4550 | pH 5; Tymheredd: 25 °C | (1) ACD |
Koc | 4540 | pH 6; Tymheredd: 25 °C | (1) ACD |
Koc | 4520 | pH 7; Tymheredd: 25 °C | (1) ACD |
Koc | 4330 | pH 8; Tymheredd: 25 °C | (1) ACD |
Koc | 3030 | pH 9; Tymheredd: 25 °C | (1) ACD |
Koc | 785 | pH 10; Tymheredd: 25 °C | (1) ACD |
logD | 4.19 | pH 1; Tymheredd: 25 °C | (1) ACD |
logD | 4.19 | pH 2; Tymheredd: 25 °C | (1) ACD |
logD | 4.19 | pH 3; Tymheredd: 25 °C | (1) ACD |
logD | 4.19 | pH 4; Tymheredd: 25 °C | (1) ACD |
logD | 4.19 | pH 5; Tymheredd: 25 °C | (1) ACD |
logD | 4.19 | pH 6; Tymheredd: 25 °C | (1) ACD |
logD | 4.19 | pH 7; Tymheredd: 25 °C | (1) ACD |
logD | 4.17 | pH 8; Tymheredd: 25 °C | (1) ACD |
logD | 4.02 | pH 9; Tymheredd: 25 °C | (1) ACD |
logD | 3.43 | pH 10; Tymheredd: 25 °C | (1) ACD |
logP | 4.192±0.628 | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid Màs | 3.2 x 10-4 g/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 3.2 x 10-4 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 3.2 x 10-4 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 3.2 x 10-4 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 3.2 x 10-4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 3.2 x 10-4 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 3.2 x 10-4 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 3.2 x 10-4 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Hydoddedd Màs | 3.3 x 10-4 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 4.8 x 10-4 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 1.9 x 10-3 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Màs | 3.2 x 10-4 g/L | Dŵr Heb ei Gluffio pH 6.99; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Cynhenid Molar | 5.8 x 10-7 mol/L | Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.8 x 10-7 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.8 x 10-7 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.8 x 10-7 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.8 x 10-7 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.8 x 10-7 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.8 x 10-7 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.8 x 10-7 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 6.1 x 10-7 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 8.7 x 10-7 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 3.4 x 10-6 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
Hydoddedd Molar | 5.8 x 10-7 mol/L | Dŵr Heb ei Gluffio pH 6.99; Tymheredd: 25 °C | (1) ACD |
Pwysau Moleciwlaidd | 546.57 | ||
pKa | 9.39±0.10 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Dwysedd | 1.343±0.06 g/cm3 | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
Cyfaint Molar | 406.9±3.0 cm3/mol | Tymheredd: 20 °C; Gwasgedd: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Bondiau Cylchdroi'n Rhydd | 11 | (1) ACD | |
Derbynyddion H | 10 | (1) ACD | |
Rhoddwyr H | 3 | (1) ACD | |
Swm Rhoddwr/Derbynydd H | 13 | (1) ACD | |
logP | 4.192±0.628 | Tymheredd: 25 °C | (1) ACD |
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Pwysau Moleciwlaidd | 546.57 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Cysylltiedig â Strwythur
Eiddo | Gwerth | Cyflwr | Ffynhonnell |
Arwynebedd Wyneb Pegynol | 127 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