C39h37n5o7 Adenosine, N-Benzoyl-5'-O- A- BIS (4 -Texyphemenyl) -2''- O-methyl- (9CI, ACI)
Nga taonga tinana matua | Wāriu | Āhuatanga |
Taumaha Momo | 687.74 | - |
Te mutunga (tohua) | 1.32 ± 0.1 g / cm3 | TOM: 20 ° C; Press: 760 Torr |
PK (tohua) | 7.87 ± 0.43 | Te nuinga o te Opeware: 25 ° C |
SMILSICACY SMILS O = C (NC1 = NC1 = NC2 = CN2CH3OC (CC = CC = CC = CC = CC = c6) C = CC = CC = CC8
Ataata isomeric
C (oc [c @ h] 1O [c @ h] (oc) n1@. cc = cc = cc = c5) c = c6) C7 = cc = cc = c7
Hapani
Inchi = 1s / c39h377n5o7 / C1-47-29-18-14-27 (15-19-29-19-26-13-26-13-26-13-26-13-26-13-26-13-26-13-26-13-20 (48-28) 50 (49-3) 38 (49- 31) 44-24-42-32 (40-23-41-36 (32) 44) 43-37 (46-6-47-11-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25-25 / H4-11,2354,33,33-33,33,33,43,1-3h3, 22,43,43,43,46) / T31-, 33-,
34-, 38- / M1 / S1
Inchi Key
Sarhdaqoznkzcc-cjegosrcsa-n
1 tetahi atu ingoa mo tenei taonga
N-Benzoyl-5'-o- BIS (4-athoxyphenyl) Phenylmethyl] -2''-o-o-methyladenosine (aci)
E waatea ana te Spectra
1h nmr
13c nmr
Tōpūtanga
Nga Taonga e waatea ana
Pāpori
Matū
Tōnu
Lipinski
Hanganga
Pāpori
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Te take koiora | 47800 | Ph 1; Top: 25 ° C | (1) ACD |
Te take koiora | 1.63 x 105 | ph 2; Top: 25 ° C | (1) ACD |
Te take koiora | 2.16 x 105 | wh 3; Top: 25 ° C | (1) ACD |
Te take koiora | 2.23 x 105 | ph 4; Top: 25 ° C | (1) ACD |
Te take koiora | 2.23 x 105 | A 5; Top: 25 ° C | (1) ACD |
Te take koiora | 2.18 x 105 | ph 6; Top: 25 ° C | (1) ACD |
Te take koiora | 1.79 x 105 | A 7; Top: 25 ° C | (1) ACD |
Te take koiora | 64900 | A 8; Top: 25 ° C | (1) ACD |
Te take koiora | 10600 | A 9; Top: 25 ° C | (1) ACD |
Te take koiora | 3110 | 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 | 50200 | Ph 1; Top: 25 ° C | (1) ACD |
Hononga | 1.71 x 105 | ph 2; Top: 25 ° C | (1) ACD |
Hononga | 2.26 x 105 | wh 3; Top: 25 ° C | (1) ACD |
Hononga | 2.34 x 105 | ph 4; Top: 25 ° C | (1) ACD |
Hononga | 2.34 x 105 | A 5; Top: 25 ° C | (1) ACD |
Hononga | 2.29 x 105 | ph 6; Top: 25 ° C | (1) ACD |
Hononga | 1.88 x 105 | A 7; Top: 25 ° C | (1) ACD |
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Hononga | 68000 | A 8; Top: 25 ° C | (1) ACD |
Hononga | 11200 | A 9; Top: 25 ° C | (1) ACD |
Hononga | 3260 | ph 10; Top: 25 ° C | (1) ACD |
arotau | 6.67 | Ph 1; Top: 25 ° C | (1) ACD |
arotau | 7.21 | ph 2; Top: 25 ° C | (1) ACD |
arotau | 7.33 | wh 3; Top: 25 ° C | (1) ACD |
arotau | 7.34 | ph 4; Top: 25 ° C | (1) ACD |
arotau | 7.34 | A 5; Top: 25 ° C | (1) ACD |
arotau | 7.33 | ph 6; Top: 25 ° C | (1) ACD |
arotau | 7.25 | A 7; Top: 25 ° C | (1) ACD |
arotau | 6.80 | A 8; Top: 25 ° C | (1) ACD |
arotau | 6.02 | A 9; Top: 25 ° C | (1) ACD |
arotau | 5.49 | ph 10; Top: 25 ° C | (1) ACD |
arotau | 7.344 ± 0.723 | Top: 25 ° C | (1) ACD |
Ko te whakaraeraetanga o te papatipu | 2.7 x 10-6 g / l | Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 1.2 x 10-5 g / l | Ph 1; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.7 x 10-6 g / l | ph 2; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 2.8 x 10-6 g / l | wh 3; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 2.8 x 10-6 g / l | ph 4; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 2.8 x 10-6 g / l | A 5; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 2.8 x 10-6 g / l | ph 6; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.4 x 10-6 g / l | A 7; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 9.6 x 10-6 g / l | A 8; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 5.7 x 10-5 g / l | A 9; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 1.9 x 10-4 g / l | ph 10; Top: 25 ° C | (1) ACD |
Te whakarewa papatipu | 3.4 x 10-6 g / l | Te wai koretake o te waea 7.00; Top: 25 ° C | (1) ACD |
Ko te ngoikoretanga o te kolarsic | 3.9 x 10-9 mol / l | Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.8 x 10-8 mol / l | Ph 1; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 5.4 x 10-9 mol / l | ph 2; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 4.1 x 10-9 mol / l | wh 3; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 4.0 x 10-9 mol / l | ph 4; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 4.0 x 10-9 mol / l | A 5; Top: 25 ° C | (1) ACD |
Rawa | Wāriu | Āhuatanga | Mātāpuna |
Te whakararatanga a Molar | 4.0 x 10-9 mol / l | ph 6; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 4.9 x 10-9 mol / l | A 7; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 1.4 x 10-8 mol / l | A 8; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 8.3 x 10-8 mol / l | A 9; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 2.8 x 10-7 mol / l | ph 10; Top: 25 ° C | (1) ACD |
Te whakararatanga a Molar | 4.9 x 10-9 mol / l | Te wai koretake o te waea 7.00; Top: 25 ° C | (1) ACD |
Taumaha Momo | 687.74 | ||
pāt | 7.87 ± 0.43 | Te nuinga o te Opeware: 25 ° C | (1) ACD |
pāt | 1.39 ± 0.10 | Te tino tauira taketake: 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 | 1.32 ± 0.1 g / cm3 | TOM: 20 ° C; Press: 760 Torr | (1) ACD |
Rōnga MOAR | 518.5 ± 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 | 12 | (1) ACD | |
H whakaae | 12 | (1) ACD | |
Ko nga putea | 2 | (1) ACD | |
H Donor / Whakaaetanga moni | 14 | (1) ACD | |
arotau | 7.344 ± 0.723 | Top: 25 ° C | (1) ACD |
Taumaha Momo | 687.74 |
(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 | 139 A2 | (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
E waatea ana te Spectra
13c nmr