![C30H28N2O7 6H-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2-[bis (4-methoxy phenyl) methyl] (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) methyl] (9CI, ACI) gambar yang dipaparkan](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) methyl] (9CI, ACI)
| Sifat fizikal utama | Nilai | Keadaan |
| Berat molekul | 528.55 | - |
| Titik lebur (eksperimen) | 129.5-130 ° C. | - |
| Titik mendidih (diramalkan) | 688.2 ± 65.0 ° C. | Tekan: 760 Torr |
| Ketumpatan (diramalkan) | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr |
| PKA (diramalkan) | 12.51 ± 0.40 | Tempatan yang paling berasid: 25 ° C |
Smiles Canonical O = C1N = C2OC3C (O) C (OC3N2C = C1) COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6
Isomerik Smiles C (OC [C@H] 1O [c @@] 2 ([C@] ([C @@ H] 1O) (OC = 3N2C = CC (= O) N3) [H]) [H])
Inchi
Inchi = 1S/C30H28N2O7/C1-35-22-12-8-20-20 (9-13-22) 30 (19-6-4-3-5-7-19-10-14-23 (36-2) 15-11-21) 16-25 (33) 31-29 (32) 39-27/H3-17,24,26-28,34H, 18H2,1-2H3/T24-, 26-, 27+, 28-/m1/s1
Kunci Inchi
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2 nama lain untuk bahan ini
(2r, 3r, 3as, 9ar) -2-[[bis (4-methoxyphenyl) phenylmethoxy] metil] -2,3,3a, 9a-tetrahydro-3-hydroxy-6h-furo [2 ' 6H-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-one, 2-[[bis (4-methoxyphenyl) phenylmethoxy] metil] -2,3,3a, 9a-
Tetrahydro-3-hydroxy-, [2R- (2α, 3β, 3Aβ, 9Aβ)]-(ZCI)
| Hartanah tersedia |
| Haba |
Haba
| Harta | Nilai | Keadaan | Sumber |
| Titik lebur | 129.5-130 ° C. | (1) Cas | |
(1) Szlenkier, Maurycy; Nukleosida, nukleotida & asid nukleik, (2016), 35 (8), 410-425, Caplus
| Spektrum tersedia |
| 1H NMR |
| 13C NMR |
| IR |
| Massa |
Sifat yang diramalkan
| Hartanah tersedia |
| Biologi |
| Kimia |
| Ketumpatan |
| Lipinski |
| Struktur berkaitan |
| Haba |
Biologi
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 1360 | pH 1; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1360 | pH 2; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1360 | pH 3; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1360 | pH 4; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1360 | pH 5; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1360 | pH 6; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1360 | pH 7; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Faktor Biokonsentrasi | 1360 | pH 8; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1360 | pH 9; Temp: 25 ° C. | (1) ACD |
| Faktor Biokonsentrasi | 1350 | pH 10; Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | Keadaan | Sumber |
| 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 |
| Kelarutan intrinsik massa | 5.8 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.8 x 10-4 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.8 x 10-4 g/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.8 x 10-4 g/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.8 x 10-4 g/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.8 x 10-4 g/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Harta | Nilai | Keadaan | Sumber |
| Kelarutan Massa | 5.8 x 10-4 g/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.8 x 10-4 g/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.8 x 10-4 g/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.8 x 10-4 g/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.8 x 10-4 g/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan Massa | 5.8 x 10-4 g/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Kelarutan intrinsik molar | 1.1 x 10-6 mol/l | Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-6 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-6 mol/l | pH 2; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-6 mol/l | pH 3; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-6 mol/l | pH 4; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-6 mol/l | pH 5; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-6 mol/l | pH 6; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-6 mol/l | pH 7; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-6 mol/l | pH 8; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-6 mol/l | pH 9; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-6 mol/l | pH 10; Temp: 25 ° C. | (1) ACD |
| Kelarutan molar | 1.1 x 10-6 mol/l | Air yang tidak disengajakan pH 7.00; Temp: 25 ° C. | (1) ACD |
| Berat molekul | 528.55 | ||
| PKA | 12.51 ± 0.40 | Tempatan yang paling berasid: 25 ° C | (1) ACD |
| PKA | -4.70 ± 0.60 | Tempatan paling asas: 25 ° C | (1) ACD |
| Tekanan wap | 6.91 x 10-20 Torr | Temp: 25 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Ketumpatan
| Harta | Nilai | Keadaan | Sumber |
| Ketumpatan | 1.35 ± 0.1 g/cm3 | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
| Jumlah molar | 389.8 ± 7.0 cm3/mol | Temp: 20 ° C; Tekan: 760 Torr | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | Keadaan | Sumber |
| Ikatan bebas berputar | 9 | (1) ACD | |
| Harta | Nilai | Keadaan | Sumber |
| H penerima | 9 | (1) ACD | |
| H penderma | 1 | (1) ACD | |
| H penderma/penerima jumlah | 10 | (1) ACD | |
| logp | 4.424 ± 0.618 | Temp: 25 ° C. | (1) ACD |
| Berat molekul | 528.55 |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Struktur berkaitan
| Harta | Nilai | Keadaan | Sumber |
| Kawasan permukaan kutub | 99.1 A2 | (1) ACD | |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Haba
| Harta | Nilai | Keadaan | Sumber |
| Titik mendidih | 688.2 ± 65.0 ° C. | Tekan: 760 Torr | (1) ACD |
| Entalpi pengewapan | 105.96 ± 3.0 kJ/mol | Tekan: 760 Torr | (1) ACD |
| Titik kilat | 370.0 ± 34.3 ° C. | (1) ACD |
(1) Dikira Menggunakan Perisian Pembangunan Kimia Lanjutan (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spektrum tersedia
1H NMR
13C NMR
![C50H60N5O10P cytidine, N-benzoyl-5 '-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O- (2-methoxyethyl)-5-methyl-, 3 '-[2-cyanoethyl N,](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)
![C38H49NO7 1- Pyrrolidinedodecanoic Acid, 2- [[BIS (4-methoxyphenyl) phenylm ethoxy] methyl] -4-hydroxy-λ-oxo-, (2S, 4R)-(ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
![C39H37N5O7 Adenosine, N-Benzoyl-5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'- O-metil- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
