![C30H30N2O8 Úirídín, 5′-O-[bis(4-meatocsaifeinil)feinilmeitil]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C30H30N2O8 Úirídín, 5′-O-[bis(4-meatocsaifeinil)feinilmeitil]- (9CI, ACI)
| Príomhairíonna Fisiceacha | Luach | Coinníoll |
| Meáchan Móilíneach | 546.57 | - |
| Pointe Leá (Turgnamhach) | 111-112 °C | Tuaslagóir: Aicéatáit eitile |
| Dlús (Tuartha) | 1.343±0.06 g/cm3 | Teocht: 20 °C; Brú: 760 Torr |
| pKa (Tuartha) | 9.39±0.10 | Teocht is Aigéadaí: 25 °C |
AOIBHÍ Canónacha 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
Isiméireacha SMILES 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
Eochair InChI
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Ainm Eile don tSubstaint seo
5′-O-[Bis(4-meatocsafeinil)feinilmeitil]úirídín (ACI); Úirídín, 5′-O-[α,α-bis(p-meatocsafeinil)beinsil]- (7CI); 5′-Démeatocsatrítile úrídín; 5′-O-(4,4′-Démeatocsatrítile)úirídín
| Maoine atá ar fáil |
| Teirmeach |
Teirmeach
| Maoin | Luach | Coinníoll | Foinse | |
| Pointe Leá | 122-123 °C | (1) CAS | ||
| Pointe Leá | 111-112 °C | Tuaslagóir: | Aicéatáit eitile | (2) CAS |
| Pointe Leá | Féach an Téacs Iomlán | (3) CAS | ||
(1) Zekri, Negar; Feasachán Chumann Ceimiceach na hAetóipe, (2010), 24(2), 299-304, CAplus
(2) Patil, Preman agus Ramrao; Iris na Ceimice Carbaihiodráite, (2008), 27(5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Litreacha Teitreahéadráin, (2004), 45(36), 6737-6739, CAplus
Speictrim atá ar fáil
1H NMR
13C NMR
Aifreann
| Maoine atá ar fáil |
| Bitheolaíoch |
| Ceimiceach |
| Dlús |
| Lipinski |
| Struchtúr Gaolmhar |
Bitheolaíoch
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 904 | pH 1; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 904 | pH 2; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 904 | pH 3; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 904 | pH 4; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 904 | pH 5; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 904 | pH 6; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 900 | pH 7; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 861 | pH 8; Teocht: 25 °C | (1) ACD |
| Fachtóir Bith-thiúchana | 602 | pH 9; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Fachtóir Bith-thiúchana | 156 | pH 10; Teocht: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ceimiceach
| Maoin | Luach | Coinníoll | Foinse |
| Koc | 4550 | pH 1; Teocht: 25 °C | (1) ACD |
| Koc | 4550 | pH 2; Teocht: 25 °C | (1) ACD |
| Koc | 4550 | pH 3; Teocht: 25 °C | (1) ACD |
| Koc | 4550 | pH 4; Teocht: 25 °C | (1) ACD |
| Koc | 4550 | pH 5; Teocht: 25 °C | (1) ACD |
| Koc | 4540 | pH 6; Teocht: 25 °C | (1) ACD |
| Koc | 4520 | pH 7; Teocht: 25 °C | (1) ACD |
| Koc | 4330 | pH 8; Teocht: 25 °C | (1) ACD |
| Koc | 3030 | pH 9; Teocht: 25 °C | (1) ACD |
| Koc | 785 | pH 10; Teocht: 25 °C | (1) ACD |
| logD | 4.19 | pH 1; Teocht: 25 °C | (1) ACD |
| logD | 4.19 | pH 2; Teocht: 25 °C | (1) ACD |
| logD | 4.19 | pH 3; Teocht: 25 °C | (1) ACD |
| logD | 4.19 | pH 4; Teocht: 25 °C | (1) ACD |
| logD | 4.19 | pH 5; Teocht: 25 °C | (1) ACD |
| logD | 4.19 | pH 6; Teocht: 25 °C | (1) ACD |
| logD | 4.19 | pH 7; Teocht: 25 °C | (1) ACD |
| logD | 4.17 | pH 8; Teocht: 25 °C | (1) ACD |
| logD | 4.02 | pH 9; Teocht: 25 °C | (1) ACD |
| logD | 3.43 | pH 10; Teocht: 25 °C | (1) ACD |
| logP | 4.192±0.628 | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mais | 3.2 x 10-4 g/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.2 x 10-4 g/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.2 x 10-4 g/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.2 x 10-4 g/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.2 x 10-4 g/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.2 x 10-4 g/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.2 x 10-4 g/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.2 x 10-4 g/L | pH 7; Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Intuaslagthacht Mais | 3.3 x 10-4 g/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 4.8 x 10-4 g/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 1.9 x 10-3 g/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mais | 3.2 x 10-4 g/L | Uisce Gan Maolán pH 6.99; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Intreach Mhólar | 5.8 x 10-7 móil/L | Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.8 x 10-7 móil/L | pH 1; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.8 x 10-7 móil/L | pH 2; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.8 x 10-7 móil/L | pH 3; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.8 x 10-7 móil/L | pH 4; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.8 x 10-7 móil/L | pH 5; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.8 x 10-7 móil/L | pH 6; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.8 x 10-7 móil/L | pH 7; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 6.1 x 10-7 móil/L | pH 8; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 8.7 x 10-7 móil/L | pH 9; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 3.4 x 10-6 móil/L | pH 10; Teocht: 25 °C | (1) ACD |
| Intuaslagthacht Mhólar | 5.8 x 10-7 móil/L | Uisce Gan Maolán pH 6.99; Teocht: 25 °C | (1) ACD |
| Meáchan Móilíneach | 546.57 | ||
| pKa | 9.39±0.10 | Teocht is Aigéadaí: 25 °C | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dlús
| Maoin | Luach | Coinníoll | Foinse |
| Dlús | 1.343±0.06 g/cm3 | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
| Toirt Mhólach | 406.9±3.0 cm3/mol | Teocht: 20 °C; Brú: 760 Torr | (1) ACD |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Maoin | Luach | Coinníoll | Foinse |
| Bannaí Rothlach Saor in Aisce | 11 | (1) ACD | |
| Glacadóirí H | 10 | (1) ACD | |
| Deontóirí H | 3 | (1) ACD | |
| Suim an Deontóra/Glacadóra H | 13 | (1) ACD | |
| logP | 4.192±0.628 | Teocht: 25 °C | (1) ACD |
| Maoin | Luach | Coinníoll | Foinse |
| Meáchan Móilíneach | 546.57 | ||
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struchtúr Gaolmhar
| Maoin | Luach | Coinníoll | Foinse |
| Achar Dromchla Polach | 127 A2 | (1) ACD | |
(1) Ríomhtha ag baint úsáide as Bogearraí Advanced Chemistry Development (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Speictrim atá ar fáil
1H NMR
13C NMR
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