![C30H28N2O7 6H-FURO [2 ', 3': 4,5] Oxazolo [3,2-A] Pyrimidin-fenyl) Phenylmethoxy] FenylmethOxy-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-fenyl) Phenylmethoxy] FenylmethOxy-3-Hydroxy-, (2r, 3r, 3AS, 9AR) - (9CI, Aci) Featured ôfbylding](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-FURO [2 ', 3': 4,5] Oxazolo [3,2-A] Pyrimidin-fenyl) Phenylmethoxy] FenylmethOxy-3-Hydroxy-, (2r, 3r, 3AS, 9AR) - (9CI, Aci)
| Kaai fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 528.55 | - |
| Melting Point (eksperiminteel) | 129.5-130 ° C | - |
| Siedend punt (foarsizze) | 688.2 ± 65,0 ° C | Parse: 760 Torr |
| Tichtheid (foarsizze) | 1,35 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr |
| PKA (foarsizze) | 12.51 ± 0,40 | Meast Acidic Temp: 25 ° C |
Kanonyske glimkes o = c1n = c2oc3c (O) c (oc3n2c = c (c = cc = cc = cc = c (cv = c = c = c6 = c6 =
Isomeryske glimket c (OC [c @ h] 1O [C @@] 2 ([c @@] 1O) (OC = c (cc = c = c = c (cv = c = c = c6 = cv = cv = cv = cv = c6
Inchi
Inchi = 1s / c30h28n2o7 / c1-35-22-12-8-20 (9-13-22) 30 (19-13-22-5-6-19.21-14-23 (36-24-250 (36-24-26 (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-, 26-, 26-, 26-, 26-, 26-, 26-, 26-, 26- / M1 / S1
Inchi-kaai
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2 oare nammen foar dizze substansje
(2r, 3r, 3AS, 9AR) 9AR) -2 - [[BIS (4-methovyPhenyl) Phenylmethoxy] Methyl] -2,3,3-3-HYDROXY-6-FURO [2 ', 3': 4 ', 3' e FURO [2 ', 3' 6h-furo [2 ', 3': 4,5] Oxazolo [3,2-A] Pyrimidin-6-ien, 2 - [[bis (4-methovyxy] methyl] -2,3,3a, 9a-
Tetrahydro-3-Hydroxy- [2r- (2α, 3β, 3aβ, 9aβ)] - (zci)
| Eigenskippen beskikber |
| Thermal |
Thermal
| Besit | Wearde | Betingst | Boarne |
| Melting Point | 129.5-130 ° C | (1) CAS | |
(1) Szlenkier, Maurycy; Nucleosides, nukleotiden en nukleïske soeren, (2016), 35 (8), 410-425, Caplus
| Spectra te krijen |
| 1h nmr |
| 13C NMR |
| IR |
| Mis |
Foarsichtich eigenskippen
| Eigenskippen beskikber |
| Biologysk |
| Gemysk |
| Densheid |
| Lipinski |
| Struktuer relatearre |
| Thermal |
Biologysk
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 1360 | pH 1; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 2; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 3; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 4; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 5; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 6; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 7; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Bioconcentration Factor | 1360 | pH 8; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1360 | pH 9; Temp: 25 ° C | (1) ACD |
| Bioconcentration Factor | 1350 | 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 | 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 |
| Logd | 4.42 | pH 1; Temp: 25 ° C | (1) ACD |
| Logd | 4.42 | pH 2; Temp: 25 ° C | (1) ACD |
| Logd | 4.42 | pH 3; Temp: 25 ° C | (1) ACD |
| Logd | 4.42 | pH 4; Temp: 25 ° C | (1) ACD |
| Logd | 4.42 | pH 5; Temp: 25 ° C | (1) ACD |
| Logd | 4.42 | pH 6; Temp: 25 ° C | (1) ACD |
| Logd | 4.42 | pH 7; Temp: 25 ° C | (1) ACD |
| Logd | 4.42 | pH 8; Temp: 25 ° C | (1) ACD |
| Logd | 4.42 | pH 9; Temp: 25 ° C | (1) ACD |
| Logd | 4.42 | pH 10; Temp: 25 ° C | (1) ACD |
| Logp | 4.424 ± 0.618 | Temp: 25 ° C | (1) ACD |
| Massa intrinsike oplosmiddel | 5,8 x 10-4 G / L | Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-4 G / L | pH 1; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-4 G / L | pH 2; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-4 G / L | pH 3; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-4 G / L | pH 4; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-4 G / L | pH 5; Temp: 25 ° C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Massa-oplosberens | 5,8 x 10-4 G / L | pH 6; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-4 G / L | pH 7; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-4 G / L | pH 8; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-4 G / L | pH 9; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-4 G / L | pH 10; Temp: 25 ° C | (1) ACD |
| Massa-oplosberens | 5,8 x 10-4 G / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molêre yntrinsike oplosmiddel | 1.1 X 10-6 Mol / L | Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-6 Mol / L | pH 1; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-6 Mol / L | pH 2; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-6 Mol / L | pH 3; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-6 Mol / L | pH 4; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-6 Mol / L | pH 5; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-6 Mol / L | pH 6; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-6 Mol / L | pH 7; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-6 Mol / L | pH 8; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-6 Mol / L | pH 9; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-6 Mol / L | pH 10; Temp: 25 ° C | (1) ACD |
| Milarlabiliteit | 1.1 X 10-6 Mol / L | Unbuffered wetter Ph 7.00; Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 528.55 | ||
| pka | 12.51 ± 0,40 | Meast Acidic Temp: 25 ° C | (1) ACD |
| pka | -4,70 ± 0,60 | Meast basic temp: 25 ° C | (1) ACD |
| Dampdruk | 6.91 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 | 1,35 ± 0,1 g / cm3 | Temp: 20 ° C; Parse: 760 Torr | (1) ACD |
| Molar volume | 389,8 ± 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 | |
| Besit | Wearde | Betingst | Boarne |
| H akseptearders | 9 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / akseptearje SUM | 10 | (1) ACD | |
| Logp | 4.424 ± 0.618 | Temp: 25 ° C | (1) ACD |
| Molekulêr gewicht | 528.55 |
(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 | 688.2 ± 65,0 ° C | Parse: 760 Torr | (1) ACD |
| Enthalpy fan Vaporization | 105,96 ± 3.0 kj / mol | Parse: 760 Torr | (1) ACD |
| Flash Point | 370.0 ± 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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