![C31H30N2O7 6H-Furo [2 ′, 3 ′: 4,5] Oxazolo [3,2-A] Pyrimidin-6-One, 2-[[bis (4-methoxy feinil) feinilmethoxy] -2,3a, 9a-tetrahydro-3-hydroxy-7-7-3A, 9A-Tetrahydro-3-Hydroxy-7-7-3a, (2r, 3r, 3as, 9ar)- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6H-Furo [2 ′, 3 ′: 4,5] Oxazolo [3,2-A] Pyrimidin-6-One, 2-[[bis (4-methoxy feinil) feinilmethoxy] -2,3a, 9a-tetrahydro-3-hydroxy-7-7-3A, 9A-Tetrahydro-3-Hydroxy-7-7-3a, (2r, 3r, 3as, 9ar)- (9ci, ACI) Íomhá le feiceáil](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6H-Furo [2 ′, 3 ′: 4,5] Oxazolo [3,2-A] Pyrimidin-6-One, 2-[[bis (4-methoxy feinil) feinilmethoxy] -2,3a, 9a-tetrahydro-3-hydroxy-7-7-3A, 9A-Tetrahydro-3-Hydroxy-7-7-3a, (2r, 3r, 3as, 9ar)- (9ci, ACI)
| Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
| Meáchan móilíneach | 542.58 | - |
| Fiuchphointe (tuartha) | 692.9 ± 65.0 ° C. | Brúigh: 760 Torr |
| Dlús (tuartha) | 1.33 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
| PKA (tuartha) | 12.51 ± 0.60 | An luas is aigéid: 25 ° C. |
Smiles Canónach O = C1N = C2OC3C (O) C (OC3N2C = C1C) 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 = C (C) C (= O) N3) [H]) [H]) (C4 = CC = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6 = CC = C6)
Orlach
Inchi = 1S/C31H30N2O7/C1-19-19-17-33-29-27 (40-30 (33) 32-28 (19) 35) 26 (34) 25 (39-29) 18-38-31 (20-7-5-4-6-8-20,21-9-13-13-13-23 (36-2) 14-10-21 14-21 (36-210-21 (36-210-21.
) 22-11-15-24 (37-3) 16-12-22/H4-17,25-27,29,34H, 18H2,1-3H3/T25-, 26-, 27+, 29-/M1/S1
Eochair Inchi
Bqeqceznlikssh-cithkvlssa-n
1 ainm eile ar an tsubstaint seo
.
Speictrim ar fáil
1H NMR
13c NMR
Mir
| Airíonna atá ar fáil |
| Bitheolaíoch |
| Ceimiceán |
| Dlús |
| Lipinski |
| A bhaineann le struchtúr |
| Teirmeach |
Bitheolaíoch
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Fachtóir bith -chomhchruinnithe | 2800 | pH 1; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2800 | pH 2; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2800 | pH 3; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2800 | pH 4; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2800 | pH 5; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2800 | pH 6; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2800 | pH 7; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2800 | pH 8; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2800 | pH 9; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2790 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Ceimiceán
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| KOC | 10200 | pH 1; TEMP: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 2; TEMP: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 3; TEMP: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 4; TEMP: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 5; TEMP: 25 ° C. | (1) ACD |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| KOC | 10200 | pH 6; TEMP: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 7; TEMP: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 8; TEMP: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 9; TEMP: 25 ° C. | (1) ACD |
| KOC | 10200 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.84 | pH 1; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.84 | pH 2; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.84 | pH 3; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.84 | pH 4; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.84 | pH 5; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.84 | pH 6; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.84 | pH 7; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.84 | pH 8; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.84 | pH 9; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.84 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | 4.839 ± 0.618 | TEMP: 25 ° C. | (1) ACD |
| Aifreann Intreach intreach | 3.6 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.6 x 10-4 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.6 x 10-4 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.6 x 10-4 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.6 x 10-4 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.6 x 10-4 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.6 x 10-4 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.6 x 10-4 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.6 x 10-4 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.6 x 10-4 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.6 x 10-4 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 3.6 x 10-4 g/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
| Intuaslagthacht intreach molar | 6.6 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.6 x 10-7 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.7 x 10-7 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.6 x 10-7 mol/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 542.58 | ||
| pka | 12.51 ± 0.60 | An luas is aigéid: 25 ° C. | (1) ACD |
| pka | -4.38 ± 0.60 | An luas is bunúsaí: 25 ° C. | (1) ACD |
| Brú gaile | 3.73 x 10-20 Torr | TEMP: 25 ° C. | (1) ACD |
.
Dlús
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Dlús | 1.33 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
| Toirt molar | 404.9 ± 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 | |
| H Glacadóirí | 9 | (1) ACD | |
| Hontóirí H. | 1 | (1) ACD | |
| H suim deontóra/glacadóir | 10 | (1) ACD | |
| logáil | 4.839 ± 0.618 | TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 542.58 |
.
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 | 692.9 ± 65.0 ° C. | Brúigh: 760 Torr | (1) ACD |
| Eantalpacht an ghalraithe | 106.61 ± 3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
| Bonnphointe | 372.8 ± 34.3 ° C. | (1) ACD |
.
Speictrim ar fáil
1H NMR
13c NMR
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