C31h30n2O7 6h-furo [2, 3,5] oxzodo [3,2-a] pyrimidin-6 - 4-athoxy phenyl) lathyl] -2,3a, 9a-Tetrash- (2r, 3r, 3as, 9ar) - (9CI, ACI)
Nga taonga tinana matua | Wāriu | Āhuatanga |
Taumaha Momo | 542.58 | - |
Kohua (tohu) | 692.9 ± 65.0 ° C | Press: 760 Torr |
Te mutunga (tohua) | 1.33 ± 0.1 g / cm3 | TOM: 20 ° C; Press: 760 Torr |
PK (tohua) | 12.51 ± 0.60 | Te nuinga o te Opeware: 25 ° C |
SMILSICE CLOCES O = C1N = C2OC3C (O) C (OC3N2C = CC = CC = CC = CC = CC = CC = CC = C6
Ko nga ataata isomeric c (oc [c @ h @@ @@) (cc = cc = cc = c5 = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = c
Hapani
Inchi = 1S / C31H30N2O7 / C1-19-17-29-29-29-29-27 (40-30 (33) 32-28 (34) 25 (34) (34)
) 22-11-15-24 (37-322 / H4-17 / H4-17 / H4-17,29,34,29,34,1-3H3 / T25-, 26- / M1 / S1
Inchi Key
Bqeqceznlikssh-Cittkvlssa-n
1 tetahi atu ingoa mo tenei taonga
(2r, 3r, 3as, 9ar) -2 - 4-4-athoxyphenyloxy] metylmethoxy]
E waatea ana te Spectra
1h nmr
13c nmr
Tōpūtanga
Nga Taonga e waatea ana |
Pāpori |
Matū |
Tōnu |
Lipinski |
Hanganga |
Thermal |
Pāpori
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Te take koiora | 2800 | Ph 1; Top: 25 ° C | (1) ACD |
Te take koiora | 2800 | ph 2; Top: 25 ° C | (1) ACD |
Te take koiora | 2800 | wh 3; Top: 25 ° C | (1) ACD |
Te take koiora | 2800 | ph 4; Top: 25 ° C | (1) ACD |
Te take koiora | 2800 | A 5; Top: 25 ° C | (1) ACD |
Te take koiora | 2800 | ph 6; Top: 25 ° C | (1) ACD |
Te take koiora | 2800 | A 7; Top: 25 ° C | (1) ACD |
Te take koiora | 2800 | A 8; Top: 25 ° C | (1) ACD |
Te take koiora | 2800 | A 9; Top: 25 ° C | (1) ACD |
Te take koiora | 2790 | 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 | 10200 | Ph 1; Top: 25 ° C | (1) ACD |
Hononga | 10200 | ph 2; Top: 25 ° C | (1) ACD |
Hononga | 10200 | wh 3; Top: 25 ° C | (1) ACD |
Hononga | 10200 | ph 4; Top: 25 ° C | (1) ACD |
Hononga | 10200 | A 5; Top: 25 ° C | (1) ACD |
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Hononga | 10200 | ph 6; Top: 25 ° C | (1) ACD |
Hononga | 10200 | A 7; Top: 25 ° C | (1) ACD |
Hononga | 10200 | A 8; Top: 25 ° C | (1) ACD |
Hononga | 10200 | A 9; Top: 25 ° C | (1) ACD |
Hononga | 10200 | ph 10; Top: 25 ° C | (1) ACD |
arotau | 4.84 | Ph 1; Top: 25 ° C | (1) ACD |
arotau | 4.84 | ph 2; Top: 25 ° C | (1) ACD |
arotau | 4.84 | wh 3; Top: 25 ° C | (1) ACD |
arotau | 4.84 | ph 4; Top: 25 ° C | (1) ACD |
arotau | 4.84 | A 5; Top: 25 ° C | (1) ACD |
arotau | 4.84 | ph 6; Top: 25 ° C | (1) ACD |
arotau | 4.84 | A 7; Top: 25 ° C | (1) ACD |
arotau | 4.84 | A 8; Top: 25 ° C | (1) ACD |
arotau | 4.84 | A 9; Top: 25 ° C | (1) ACD |
arotau | 4.84 | ph 10; Top: 25 ° C | (1) ACD |
arotau | 4.839 ± 0.618 | Top: 25 ° C | (1) ACD |
Ko te whakaraeraetanga o te papatipu | 3.6 x 10-4 g / l | Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.6 x 10-4 g / l | Ph 1; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.6 x 10-4 g / l | ph 2; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.6 x 10-4 g / l | wh 3; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.6 x 10-4 g / l | ph 4; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.6 x 10-4 g / l | A 5; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.6 x 10-4 g / l | ph 6; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.6 x 10-4 g / l | A 7; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.6 x 10-4 g / l | A 8; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.6 x 10-4 g / l | A 9; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.6 x 10-4 g / l | ph 10; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.6 x 10-4 g / l | Te wai koretake o te waea 7.00; Top: 25 ° C | (1) ACD |
Ko te ngoikoretanga o te kolarsic | 6.6 x 10-7 mol / l | Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 6.6 x 10-7 mol / l | Ph 1; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 6.6 x 10-7 mol / l | ph 2; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 6.6 x 10-7 mol / l | wh 3; Top: 25 ° C | (1) ACD |
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Te whakararatanga a Molar | 6.6 x 10-7 mol / l | ph 4; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 6.6 x 10-7 mol / l | A 5; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 6.6 x 10-7 mol / l | ph 6; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 6.6 x 10-7 mol / l | A 7; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 6.6 x 10-7 mol / l | A 8; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 6.6 x 10-7 mol / l | A 9; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 6.7 x 10-7 mol / l | ph 10; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 6.6 x 10-7 mol / l | Te wai koretake o te waea 7.00; Top: 25 ° C | (1) ACD |
Taumaha Momo | 542.58 | ||
pāt | 12.51 ± 0.60 | Te nuinga o te Opeware: 25 ° C | (1) ACD |
pāt | -4.38 ± 0.60 | Te tino tauira taketake: 25 ° C | (1) ACD |
Te pēhanga umu | 3.73 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 | 1.33 ± 0.1 g / cm3 | TOM: 20 ° C; Press: 760 Torr | (1) ACD |
Rōnga MOAR | 404.9 ± 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 | |
H whakaae | 9 | (1) ACD | |
Ko nga putea | 1 | (1) ACD | |
H Donor / Whakaaetanga moni | 10 | (1) ACD | |
arotau | 4.839 ± 0.618 | Top: 25 ° C | (1) ACD |
Taumaha Momo | 542.58 |
(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 | 692.9 ± 65.0 ° C | Press: 760 Torr | (1) ACD |
Tuhinga o mua | 106.61 ± 3.0 KJ / Mol | Press: 760 Torr | (1) ACD |
Wāhi uira | 372.8 ± 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