![C31H30N2O7 6h-furo [2 '5: 4,5] Oxazolo [3,2-A] Pyrimidin-6-One, 2 - [[[[BIS (4-metoxy fenilia) fenilmetoxia] metiloa, 9a-tetrahydro-3-hydroxy-7- metil-, (2R, 3R, 3AS, 9AR) - (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6h-furo [2 '5: 4,5] Oxazolo [3,2-A] Pyrimidin-6-One, 2 - [[[[BIS (4-metoxy fenilia) fenilmetoxia] metiloa, 9a-tetrahydro-3-hydroxy-7- metil-, (2R, 3R, 3AS, 9AR) - (9ci, ACI) Nabarmendutako irudia](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6h-furo [2 '5: 4,5] Oxazolo [3,2-A] Pyrimidin-6-One, 2 - [[[[BIS (4-metoxy fenilia) fenilmetoxia] metiloa, 9a-tetrahydro-3-hydroxy-7- metil-, (2R, 3R, 3AS, 9AR) - (9CI, ACI)
| Ezaugarri fisikoak funtsezkoak | Balio | Baldintza |
| Pisu molekularra | 542,58 | - |
| Irakite-puntua (aurreikusita) | 692,9 ± 65,0 ° C | Prentsa: 760 Torr |
| Dentsitatea (aurreikusitakoa) | 1,33 ± 0,1 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr |
| pka (aurreikusita) | 12,51 ± 0,60 | Gai azido gehienak: 25 ° C |
Irribarre kanonikoak o = c1n = c2oc3c (o) c (oc3n2c = c1c) coc (c = 4c = cc = cc4) (c5 = cc = c (oc) c = c5) c6 = cc = c (oc) c = cc) c = c6
Irribarre isomerikoak c (oc [c @ h] 1 ([c @] ([c @] ([c @] 1) (oc = 3] 1) (h] [c)) [h]) c (= 3)) c (= 3)) c = c)) (c5 = cc = c (c) c = c5) c6 = cc = cc = cc = cc
Inchi
INCHI = 1S / C31H30N2O7 / C1-19-17-27-29-27 (40-30 (33) 32-28 (33) 35) 26 (34) 25 (34) 25 (39-29) 18-38-31 (20-7-5-4-6-8-20-20-21-23-23 (36-2) 14-10-21
)22-11-15-24(37-3)16-12-22/h4-17,25-27,29,34H,18H2,1-3H3/t25-,26-,27+,29-/m1/s1
Inchi gakoa
Bqeqceznlikssh-cithkvlssa-n
1 Substantzia honetarako beste izen bat
(2, 3R, 3AS, 9AR) -2 - [[[BIS (4-Metoxyphenyl) fenilmetoxia] -2,3,3a, 9a-tetrahydro-3-hydroxy-7-metil-6h-furo [2 ': 4,3] [3,2-a] Pyrimidin-6-One (ACI)
Espektroak eskuragarri
1h nmr
13C NMR
Mordo
| Ezaugarriak eskuragarri |
| Biologiko |
| Gai kimiko |
| Dentsitate |
| Lipinski |
| Egitura erlazionatua |
| Termal |
Biologiko
| Jabetasun | Balio | Baldintza | Iturri |
| Bioconcentration faktorea | 2800 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 2800 | PH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 2800 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 2800 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 2800 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 2800 | PH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 2800 | PH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 2800 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 2800 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration faktorea | 2790 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Gai kimiko
| Jabetasun | Balio | Baldintza | Iturri |
| 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 |
| Jabetasun | Balio | Baldintza | Iturri |
| 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 |
| sintika | 4,84 | pH 1; Temp: 25 ° C | (1) ACD |
| sintika | 4,84 | PH 2; Temp: 25 ° C | (1) ACD |
| sintika | 4,84 | pH 3; Temp: 25 ° C | (1) ACD |
| sintika | 4,84 | PH 4; Temp: 25 ° C | (1) ACD |
| sintika | 4,84 | PH 5; Temp: 25 ° C | (1) ACD |
| sintika | 4,84 | PH 6; Temp: 25 ° C | (1) ACD |
| sintika | 4,84 | PH 7; Temp: 25 ° C | (1) ACD |
| sintika | 4,84 | PH 8; Temp: 25 ° C | (1) ACD |
| sintika | 4,84 | PH 9; Temp: 25 ° C | (1) ACD |
| sintika | 4,84 | pH 10; Temp: 25 ° C | (1) ACD |
| logpp | 4.839 ± 0,618 | Temp: 25 ° C | (1) ACD |
| Intrinsic disolbagarritasuna | 3,6 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,6 x 10-4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,6 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,6 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,6 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,6 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,6 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,6 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,6 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,6 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,6 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun masiboa | 3,6 x 10-4 g / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
| Molar berezko disolbagarritasuna | 6,6 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,6 x 10-7 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,6 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,6 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Jabetasun | Balio | Baldintza | Iturri |
| Disolbagarritasun molarra | 6,6 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,6 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,6 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,6 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,6 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,6 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,7 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Disolbagarritasun molarra | 6,6 x 10-7 mol / l | URAREN PHIKOA 7,00; Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 542,58 | ||
| pka | 12,51 ± 0,60 | Gai azido gehienak: 25 ° C | (1) ACD |
| pka | -4,38 ± 0,60 | Oinarrizko tenperatura: 25 ° C | (1) ACD |
| Lurrunaren presioa | 3,73 x 10-20 Torr | Temp: 25 ° C | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Dentsitate
| Jabetasun | Balio | Baldintza | Iturri |
| Dentsitate | 1,33 ± 0,1 g / cm3 | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
| Bolumen molarra | 404,9 ± 7,0 cm3 / mol | Temp: 20 ° C; Prentsa: 760 Torr | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Lipinski
| Jabetasun | Balio | Baldintza | Iturri |
| Lotura libreki birakariak | 9 | (1) ACD | |
| H Onartzaileak | 9 | (1) ACD | |
| H Emaileak | 1 | (1) ACD | |
| H emaile / onartzaileen batura | 10 | (1) ACD | |
| logpp | 4.839 ± 0,618 | Temp: 25 ° C | (1) ACD |
| Pisu molekularra | 542,58 |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Egitura erlazionatua
| Jabetasun | Balio | Baldintza | Iturri |
| Azalera polarra | 99.1 A2 | (1) ACD | |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Termal
| Jabetasun | Balio | Baldintza | Iturri |
| Irakiten puntua | 692,9 ± 65,0 ° C | Prentsa: 760 Torr | (1) ACD |
| Lurruntzeko entalpia | 106,61 ± 3.0 kJ / mol | Prentsa: 760 Torr | (1) ACD |
| Flash puntu | 372,8 ± 34,3 ºC | (1) ACD |
(1) Kimika aurreratua garatzea (ACD / LABS) softwarea erabiliz kalkulatuta (© 1994-2023 ACD / Labs)
Espektroak eskuragarri
1h nmr
13C NMR
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