![C30H28N2O7 6h-Furo [2 ', 3': 4,5] Oxazolo [3,2-A] Pyrimidin-6-siji, 9R, 9R, 9R, 9R, 9R, 9R, 9GA, 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-siji, 9R, 9R, 9R, 9R, 9R, 9R, 9GA, ACI) Gambar Gambar](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6h-Furo [2 ', 3': 4,5] Oxazolo [3,2-A] Pyrimidin-6-siji, 9R, 9R, 9R, 9R, 9R, 9R, 9GA, ACI)
| Properties fisik Key | Regane | Kondisi |
| Bobot molekuler | 528.55 | - |
| Lelting Point (Eksperimen) | 129.5-130 ° C | - |
| Titik Giling (diprediksi) | 688,2 ± 65.0 ° C | Pencet: 760 torr |
| Kapadhetan (diprediksi) | 1,35 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
| Pka (diprediksi) | 12,51 ± 0,40 | Temp paling asam: 25 ° C |
Mesem kanonik o = c1n = c2oc3c (o) c (oc3n2c = c1) c5 = c5 = c5 = c5 = c5) c5 c6 = c5
Mesum Isomerik C (OC @ H] 1O [C52C = C = C5)
INCI
Kopi = 1s / c30h28N2O7 / C1-35-2222222222222222222223-12-8-20 (9-13-10-19,21-10-14-23 (34) 27-2) 27-28 (38-24) 32-17 16-25 (33) 31-29 (32) 39-27 / H3-17,24,26-28,34H, 18HH, 18h2,1-2h3 / T24-, 26-, 27-
Kunci inci
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2 jeneng liya kanggo zat iki
(2r, 3R, 3S, 9Ar) -2 - [[BIS (4-meterplmethoxy) -2,3,3A, 3 ', 3] Pyrimidin-6-siji (ACI); 6h-furo [2 ', 3': 4,5] oxazolo [3,2-a] pyrimidin-6-siji, 2 - [bis (4-meteixyphenyp)] metylmethoxy] metil] -2,3,3A, 9
tetrahydro-3-hydroxy-, [2r- (2α, 3β, 3Aβ, 9Aβ)] - (ZCI)
| Properties kasedhiya |
| Termal |
Termal
| Properti | Regane | Kondisi | Sumber |
| Titik lebur | 129.5-130 ° C | (1) cas | |
(1) szlenkier, maurcy; Nukleosida, nukléotida & asam nukleat, (2016), 35 (8), 410-425, Caplus
| Spektrum kasedhiya |
| 1h nmr |
| 13c NMR |
| IR |
| Massa |
Properti sing diramalake
| Properties kasedhiya |
| Biologis |
| Kimia |
| Kapadhetan |
| Lipinski |
| Struktur sing gegandhengan |
| Termal |
Biologis
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 1360 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1360 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1360 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1360 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1360 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1360 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1360 | pH 7; Temp: 25 ° C | (1) ACD |
| Properti | Regane | Kondisi | Sumber |
| Faktor biokentrasi | 1360 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1360 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktor biokentrasi | 1350 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kimia
| Properti | Regane | Kondisi | 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 Kelainan 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 |
| Properti | Regane | Kondisi | 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 | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Kelarutan Kelaresan Inttrinsik 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 | Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 528.55 | ||
| PKA | 12,51 ± 0,40 | Temp paling asam: 25 ° C | (1) ACD |
| PKA | -4.70 ± 0,60 | Umume Temp: 25 ° C | (1) ACD |
| Meksa uap | 6.91 x 10-20 Torr | Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kapadhetan
| Properti | Regane | Kondisi | Sumber |
| Kapadhetan | 1,35 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
| Jilid Molar | 389.8 ± 7.0 cm3 / mol | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Lipinski
| Properti | Regane | Kondisi | Sumber |
| Obligasi kanthi bebas | 9 | (1) ACD | |
| Properti | Regane | Kondisi | Sumber |
| H Nampa | 9 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor / Sumrah Panampa | 10 | (1) ACD | |
| logp | 4.424 ± 0,618 | Temp: 25 ° C | (1) ACD |
| Bobot molekuler | 528.55 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Struktur sing gegandhengan
| Properti | Regane | Kondisi | Sumber |
| Area permukaan polar | 99.1 A2 | (1) ACD | |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Termal
| Properti | Regane | Kondisi | Sumber |
| Titik Giling | 688,2 ± 65.0 ° C | Pencet: 760 torr | (1) ACD |
| Enthalpy saka Vaporization | 105.96 ± 3.0 kJ / mol | Pencet: 760 torr | (1) ACD |
| Sligan Point | 370.0 ± 34,3 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
13c NMR
![C38h49no7 1- pyrrolroidinedodecanodacyanoic asam, 2- [[bis (4-metexypenly) ethylm] -4-hydroxy-λ-oxo-, (2s) - (ACI)](https://cdn.globalso.com/nvchem/C38H49NO7-1-Pyrrolidinedodecanoic-acid-300x300.jpg)
