![C31H30N2O7 6H-FURO [2 ', 3': 4,2] Oxazolo [3,2-A] Pyrimidin-Phenyl) Phenylmethoxy-3-Hydroxy-7 - Methyl-, (2r, 3r, 3AS, 9AR) - (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31H30N2O7 6H-FURO [2 ', 3': 4,2] Oxazolo [3,2-A] Pyrimidin-Phenyl) Phenylmethoxy-3-Hydroxy-7 - Methyl-, (2r, 3r, 3AS, 9AR) - (9CI, ACI) featured ôfbylding](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31H30N2O7 6H-FURO [2 ', 3': 4,2] Oxazolo [3,2-A] Pyrimidin-Phenyl) Phenylmethoxy-3-Hydroxy-7 - Methyl-, (2r, 3r, 3AS, 9AR) - (9ci, aci)
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 542.58 | - |
| Siedend punt (foarsizze) | 692.9 ± 65,.0 ° C | Parse: 760 Torr |
| Tichtheid (foarsizze) | 1.33 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 12.51 ± 0,60 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes o = c1n = c2oc3c (O) c (OC3N2C = C1C) CC (c = 4C = c (cv = c = c = c = c6 = c (oc) c = c6
Isomeryske glimket C (OC [C @@] 2 (c @ @] ([c @ @) c (c4) c = c (c4) c = c (cv = c = c = c6 = cv = cv = c6
Inchi
Inchi = 1s / c31h30n2o7 / c1-19-17-33 (40-30 (33) 32-28 (19) 35) 26 (39) 25 (39-29-3-8-6-6-6-6-6.21-9-13-23 (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-, 26-, 26-, 29- / M1 / S1
Inchi-kaai
BQeqZniksSH-CITHKVLSSA-N
1 oare namme foar dizze substansje
(2r, 3, 3, 3AS, 9AR) -2 - [[BIS (4-methovyPhenyl) Phenylmethoxy] Methyl] -2,3,3-3-MetHyl-6H-FURO [2 ', 3': 4 ', 3': 4 ', 3'. 4 ', 3': 4 ', 3': 4 ', 3'
Spectra te krijen
1h nmr
13C NMR
Mis
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Densheid |
| Lipinski |
| Struktuer relatearre |
| Thermal |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 2800 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2800 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 2790 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Gemysk
| Besit | Wearde | Betingst | Boarne |
| 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 |
| Besit | Wearde | Betingst | Boarne |
| 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 |
| Logd | 4.84 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | 4.84 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | 4.84 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | 4.84 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | 4.84 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | 4.84 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | 4.84 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | 4.84 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | 4.84 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | 4.84 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | 4.839 ± 0.618 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 3.6 x 10-4 G / L | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-4 G / L | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-4 G / L | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-4 G / L | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-4 G / L | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-4 G / L | pH 5; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-4 G / L | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-4 G / L | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-4 G / L | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-4 G / L | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-4 G / L | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 3.6 x 10-4 G / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 6.6 X 10-7 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.6 X 10-7 Mol / L | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6,7 x 10-7 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 6.6 X 10-7 Mol / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 542.58 | ||
| pka | 12.51 ± 0,60 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | -4.38 ± 0,60 | Meast basic temp: 25 ° C | (1) ACD |
| Dampdruk | 3,73 x 10-20 torr | Temp: 25 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densheid
| Besit | Wearde | Betingst | Boarne |
| Densheid | 1.33 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 404.9 ± 7,0 cm3 / Mol | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Besit | Wearde | Betingst | Boarne |
| Frij rotatbere bonnen | 9 | (1) ACD | |
| H akseptearders | 9 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / akseptearje SUM | 10 | (1) ACD | |
| Logp | 4.839 ± 0.618 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 542.58 |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Struktuer relatearre
| Besit | Wearde | Betingst | Boarne |
| Polar oerflak | 99.1 a2 | (1) ACD | |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Thermal
| Besit | Wearde | Betingst | Boarne |
| Siedpunt | 692.9 ± 65,.0 ° C | Parse: 760 Torr | (1) ACD |
| Enthalpy fan Vaporization | 106.61 ± 3.0 kj / mol | Parse: 760 Torr | (1) ACD |
| Flash Point | 372,8 ± 34,3 ° C | (1) ACD |
(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra te krijen
1h nmr
13C NMR
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