C30h28n2O7 6h-fuo [2, 3,5 - allizolo [3,2-a] Pyrididin-6-kotahi, 2 - 4-athoxy phenyl) -2,3a, 9a-Tetrahydro-3-Hydroxy- (2r, 3r, 3as, 9ar) - (9CI, ACI)
Nga taonga tinana matua | Wāriu | Āhuatanga |
Taumaha Momo | 528.55 | - |
Rewa te wāhi (whakamātautau) | 129.5-130 ° C | - |
Kohua (tohu) | 688.2 ± 65.0 ° C | Press: 760 Torr |
Te mutunga (tohua) | 1.35 ± 0.1 g / cm3 | TOM: 20 ° C; Press: 760 Torr |
PK (tohua) | 12.51 ± 0.40 | Te nuinga o te Opeware: 25 ° C |
SMILSICACH O = C1N = C2OC3C (O) C (OC3N2C = C1) CC = CC = CC = CC = CC = CC = c6
He ataata isomeric c (oc [c @ h @@ @@) (cc = cc = cc = c5 = cc = cc = cc = cc = cc = cc = cc = cc = c
Hapani
Inchi = 1S / C30H28N2O7 / C1-35-22-12-8-20 (9-13-22) 30 (19-11-13-22-1913 (36-21-21) 37-18-24 (38-28) 32-18) 32-18. 16-25 (33) 31-29 (32) 39-27 / H3-17,24,26-28,34,34,14,1-2H3 / T24-, 26- / M1 / S1
Inchi Key
Oeirwhwhgaicd-agfthlwsa-n
2 etahi atu ingoa mo tenei taonga
(2r, 3r, 3As, 9ar) -2 - 4-4-athoxyphenyl) phenylmethoxy] 6H-fuo [2 ', 3,5] oxzodo [3,2-a] Pyrimidin-6-kotahi, 2 - [athoxyphelshoxy] methyl] -2,3a, 9a-
Tetrahydro-3-Hydroxy-, [2r- (2β, 3a, 9a,)] - (ZCI)
Nga Taonga e waatea ana |
Thermal |
Thermal
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Hanumi wāhi | 129.5-130 ° C | (1) cas |
(1) Szlenkier, Marycy; Nerohiko, Nukuha me te waikawa kūpapa, (2016), 35 (8), 410-425, Caplus
E waatea ana te Spectra |
1h nmr |
13c nmr |
IR |
Tōpūtanga |
Nga taonga kua tohua
Nga Taonga e waatea ana |
Pāpori |
Matū |
Tōnu |
Lipinski |
Hanganga |
Thermal |
Pāpori
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Te take koiora | 1360 | Ph 1; Top: 25 ° C | (1) ACD |
Te take koiora | 1360 | ph 2; Top: 25 ° C | (1) ACD |
Te take koiora | 1360 | wh 3; Top: 25 ° C | (1) ACD |
Te take koiora | 1360 | ph 4; Top: 25 ° C | (1) ACD |
Te take koiora | 1360 | A 5; Top: 25 ° C | (1) ACD |
Te take koiora | 1360 | ph 6; Top: 25 ° C | (1) ACD |
Te take koiora | 1360 | A 7; Top: 25 ° C | (1) ACD |
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Te take koiora | 1360 | A 8; Top: 25 ° C | (1) ACD |
Te take koiora | 1360 | A 9; Top: 25 ° C | (1) ACD |
Te take koiora | 1350 | ph 10; Top: 25 ° C | (1) ACD |
(1) te whakamahi i te whakamahi i te Rorohiko Whakawhanake Matū (ACD / Labs) rorohiko v11.02 (© 1994-2023 ACD / Labs)
Matū
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Hononga | 6080 | Ph 1; Top: 25 ° C | (1) ACD |
Hononga | 6080 | ph 2; Top: 25 ° C | (1) ACD |
Hononga | 6080 | wh 3; Top: 25 ° C | (1) ACD |
Hononga | 6080 | ph 4; Top: 25 ° C | (1) ACD |
Hononga | 6080 | A 5; Top: 25 ° C | (1) ACD |
Hononga | 6080 | ph 6; Top: 25 ° C | (1) ACD |
Hononga | 6080 | A 7; Top: 25 ° C | (1) ACD |
Hononga | 6080 | A 8; Top: 25 ° C | (1) ACD |
Hononga | 6070 | A 9; Top: 25 ° C | (1) ACD |
Hononga | 6060 | ph 10; Top: 25 ° C | (1) ACD |
arotau | 4.42 | Ph 1; Top: 25 ° C | (1) ACD |
arotau | 4.42 | ph 2; Top: 25 ° C | (1) ACD |
arotau | 4.42 | wh 3; Top: 25 ° C | (1) ACD |
arotau | 4.42 | ph 4; Top: 25 ° C | (1) ACD |
arotau | 4.42 | A 5; Top: 25 ° C | (1) ACD |
arotau | 4.42 | ph 6; Top: 25 ° C | (1) ACD |
arotau | 4.42 | A 7; Top: 25 ° C | (1) ACD |
arotau | 4.42 | A 8; Top: 25 ° C | (1) ACD |
arotau | 4.42 | A 9; Top: 25 ° C | (1) ACD |
arotau | 4.42 | ph 10; Top: 25 ° C | (1) ACD |
arotau | 4.424 ± 0.618 | Top: 25 ° C | (1) ACD |
Ko te whakaraeraetanga o te papatipu | 5.8 x 10-4 g / l | Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 5.8 x 10-4 g / l | Ph 1; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 5.8 x 10-4 g / l | ph 2; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 5.8 x 10-4 g / l | wh 3; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 5.8 x 10-4 g / l | ph 4; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 5.8 x 10-4 g / l | A 5; Top: 25 ° C | (1) ACD |
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Te whakarewa papatipu | 5.8 x 10-4 g / l | ph 6; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 5.8 x 10-4 g / l | A 7; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 5.8 x 10-4 g / l | A 8; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 5.8 x 10-4 g / l | A 9; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 5.8 x 10-4 g / l | ph 10; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 5.8 x 10-4 g / l | Te wai koretake o te waea 7.00; Top: 25 ° C | (1) ACD |
Ko te ngoikoretanga o te kolarsic | 1.1 x 10-6 mol / l | Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.1 x 10-6 mol / l | Ph 1; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.1 x 10-6 mol / l | ph 2; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.1 x 10-6 mol / l | wh 3; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.1 x 10-6 mol / l | ph 4; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.1 x 10-6 mol / l | A 5; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.1 x 10-6 mol / l | ph 6; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.1 x 10-6 mol / l | A 7; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.1 x 10-6 mol / l | A 8; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.1 x 10-6 mol / l | A 9; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.1 x 10-6 mol / l | ph 10; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.1 x 10-6 mol / l | Te wai koretake o te waea 7.00; Top: 25 ° C | (1) ACD |
Taumaha Momo | 528.55 | ||
pāt | 12.51 ± 0.40 | Te nuinga o te Opeware: 25 ° C | (1) ACD |
pāt | -4.70 ± 0.60 | Te tino tauira taketake: 25 ° C | (1) ACD |
Te pēhanga umu | 6.91 x 10-20 Torr | Top: 25 ° C | (1) ACD |
(1) te whakamahi i te whakamahi i te Rorohiko Whakawhanake Matū (ACD / Labs) rorohiko v11.02 (© 1994-2023 ACD / Labs)
Tōnu
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Tōnu | 1.35 ± 0.1 g / cm3 | TOM: 20 ° C; Press: 760 Torr | (1) ACD |
Rōnga MOAR | 389.8 ± 7.0 cm3 / mol | TOM: 20 ° C; Press: 760 Torr | (1) ACD |
(1) te whakamahi i te whakamahi i te Rorohiko Whakawhanake Matū (ACD / Labs) rorohiko v11.02 (© 1994-2023 ACD / Labs)
Lipinski
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Nga here hurihuri noa | 9 | (1) ACD | |
Rawa | Wāriu | Āhuatanga | Mātāpuna |
H whakaae | 9 | (1) ACD | |
Ko nga putea | 1 | (1) ACD | |
H Donor / Whakaaetanga moni | 10 | (1) ACD | |
arotau | 4.424 ± 0.618 | Top: 25 ° C | (1) ACD |
Taumaha Momo | 528.55 |
(1) te whakamahi i te whakamahi i te Rorohiko Whakawhanake Matū (ACD / Labs) rorohiko v11.02 (© 1994-2023 ACD / Labs)
Hanganga
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Te rohe mata o te polar | 99.1 A2 | (1) ACD |
(1) te whakamahi i te whakamahi i te Rorohiko Whakawhanake Matū (ACD / Labs) rorohiko v11.02 (© 1994-2023 ACD / Labs)
Thermal
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Kohua | 688.2 ± 65.0 ° C | Press: 760 Torr | (1) ACD |
Tuhinga o mua | 105.96 ± 3.0 kJ / mol | Press: 760 Torr | (1) ACD |
Wāhi uira | 370.0 ± 34.3 ° C | (1) ACD |
(1) te whakamahi i te whakamahi i te Rorohiko Whakawhanake Matū (ACD / Labs) rorohiko v11.02 (© 1994-2023 ACD / Labs)
E waatea ana te Spectra
1h nmr
13c nmr