![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Íomhá le feiceáil](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9ci, ACI)
| Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
| Meáchan móilíneach | 528.55 | - |
| Leáphointe (turgnamhach) | 129.5-130 ° C. | - |
| Fiuchphointe (tuartha) | 688.2 ± 65.0 ° C. | Brúigh: 760 Torr |
| Dlús (tuartha) | 1.35 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
| PKA (tuartha) | 12.51 ± 0.40 | An luas is aigéid: 25 ° C. |
Smiles Canónach O = C1N = C2OC3C (O) C (OC3N2C = C1) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6
Smiles isiméireach C (OC [C@H] 1o [C @@] 2 ([C@] ([C @@ H] 1o) (OC = 3N2C = CC (= O) N3) [H] [H]) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = C6)
Orlach
Inchi = 1S/C30H28N2O7/C1-35-22-12-8-20 (9-13-22) 30 (19-6-4-3-5-7-19,21-10-14-23 (36-2) 15-11-21) 37-18-24-26 (34) 27-28 (38-24) 32-17- 16-25 (33) 31-29 (32) 39-27/H3-17,24,26-28,34H, 18H2,1-2H3/T24-, 26-, 27+, 28-/M1/S1
Eochair Inchi
Oeirlwhcgaicdw-aogfthlwsa-n
2 ainm eile don tsubstaint seo
. 6H-Furo [2 ′, 3 ′: 4,5] oxazolo [3,2-A] pyrimidin-6-aon, 2-[[bis (4-methoxyphenyl) feinilmethoxy] meitil] -2,3,3a, 9A-
Tetrahydro-3-hiodrocsa-, [2r- (2α, 3β, 3aβ, 9aβ)]-(ZCI)
| Airíonna atá ar fáil |
| Teirmeach |
Teirmeach
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Leáphointe | 129.5-130 ° C. | (1) CAS | |
(1) Szlenkier, Maurycy; Nucleosides, nucleotides & aigéid núicléasacha, (2016), 35 (8), 410-425, Caplus
| Speictrim ar fáil |
| 1H NMR |
| 13c NMR |
| IR |
| Mir |
Airíonna tuartha
| Airíonna atá ar fáil |
| Bitheolaíoch |
| Ceimiceán |
| Dlús |
| Lipinski |
| A bhaineann le struchtúr |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Fachtóir bith -chomhchruinnithe | 1360 | pH 1; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1360 | pH 2; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1360 | pH 3; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1360 | pH 4; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1360 | pH 5; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1360 | pH 6; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1360 | pH 7; TEMP: 25 ° C. | (1) ACD |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Fachtóir bith -chomhchruinnithe | 1360 | pH 8; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1360 | pH 9; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1350 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Ceimiceán
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| KOC | 6080 | pH 1; TEMP: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 2; TEMP: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 3; TEMP: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 4; TEMP: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 5; TEMP: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 6; TEMP: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 7; TEMP: 25 ° C. | (1) ACD |
| KOC | 6080 | pH 8; TEMP: 25 ° C. | (1) ACD |
| KOC | 6070 | pH 9; TEMP: 25 ° C. | (1) ACD |
| KOC | 6060 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.42 | pH 1; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.42 | pH 2; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.42 | pH 3; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.42 | pH 4; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.42 | pH 5; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.42 | pH 6; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.42 | pH 7; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.42 | pH 8; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.42 | pH 9; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.42 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.424 ± 0.618 | TEMP: 25 ° C. | (1) ACD |
| Aifreann Intreach intreach | 5.8 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.8 x 10-4 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.8 x 10-4 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.8 x 10-4 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.8 x 10-4 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.8 x 10-4 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Aifreann tuaslagthachta | 5.8 x 10-4 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.8 x 10-4 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.8 x 10-4 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.8 x 10-4 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.8 x 10-4 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 5.8 x 10-4 g/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
| Intuaslagthacht intreach molar | 1.1 x 10-6 mol/l | TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-6 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-6 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-6 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-6 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-6 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-6 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-6 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-6 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-6 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-6 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-6 mol/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 528.55 | ||
| pka | 12.51 ± 0.40 | An luas is aigéid: 25 ° C. | (1) ACD |
| pka | -4.70 ± 0.60 | An luas is bunúsaí: 25 ° C. | (1) ACD |
| Brú gaile | 6.91 x 10-20 Torr | TEMP: 25 ° C. | (1) ACD |
.
Dlús
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Dlús | 1.35 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
| Toirt molar | 389.8 ± 7.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Lipinski
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Bannaí rotatable faoi shaoirse | 9 | (1) ACD | |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| H Glacadóirí | 9 | (1) ACD | |
| Hontóirí H. | 1 | (1) ACD | |
| H suim deontóra/glacadóir | 10 | (1) ACD | |
| logáil | 4.424 ± 0.618 | TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 528.55 |
.
A bhaineann le struchtúr
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Achar dromchla polar | 99.1 A2 | (1) ACD | |
.
Teirmeach
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Fiuchphointe | 688.2 ± 65.0 ° C. | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht an ghalraithe | 105.96 ± 3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Bonnphointe | 370.0 ± 34.3 ° C. | (1) ACD |
.
Speictrim ar fáil
1H NMR
13c NMR
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