C50h58N7o9p Adenosine, N-Ben Bensine-5 '-AO--Neach-obrach (O--leas-neach-freagairt) Posphorondnachte] (ACI)
Àireamh Clàrs Cas
251647-53-7
H302
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 932.01 | - |
paka (ro-innse) | 7.87 ± 0.43 | Temp as searbhagach: 25 ° C. |
Smiles Canonical
N # cccop (OC1C (OC (OC (N2C = NC = 3c (c = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = cc = c (OC) C = c7) n (c (c) c) c (c) c
Gàire isomicic
C (OC [C @@] 1 [C @/ (N = cc = cc = cc = cc = cc = cc = cc3) (cN3) (cN3) (c2 = Cc = c (OC) C = c5) (C6 = cc = c (OC) C = c6) C7 = cc = cc = cc = cc = c
Inchi
Inchi = 1s / c50h58N7O9P / C1-34 (2) 57-5-5-4-3-4-3-4-3-43-40-40 (60-6) 24-20-38) 3 9-21-25-41 (61-7) 26-22-2-39) 65-49 (43-54-53-5-47 (58-36 / H8-11-26, 32-35,42,44-4-4-49Sh2,28-3,5H3, (42,5-, 49-, 67-, 67? / S1
Iuchair Inchi
Vpbybqoglhg-hdmawcrfras-n
16 ainmean eile airson an stuth seo
Adenosine,N-benzoyl-5 '-O- [BIS (4-Neach-obrach) dha na Leumnylmeyl] -2 '-O- (2-Neach -itheamh) -, 3 '- [2-Cyanothyl Bis (1-methylethyl)
phòmhounidite] (9c); 16: PN: US20030211606 Duilleag: 19 seòrsa a-steach; 16: PN: US20030212017 duilleag: 20 sreath iarrte a-steach; 17: PN: US200400400400400400400400569 Duilleag: 22 seòrsa air a ràdh; 19: PN: US20040040040040006030 Duilleag: 23 Seòrsa a chaidh a ràdh; 19: PN: US2004004047
Duilleag: 21 sreath air a ràdh; 19: PN: US20040040014049 Duilleag: 21 sreath a chaidh a ràdh a-steach; 20: PN: US20040040040040005570 Duilleag: 20 air a thagradh
òrdugh; 20: PN: US20040040014048 Duilleag: 21 sreath air a ràdh a-steach; 20: PN: US2004004004050 Duilleag: 20 t-iarrtas a-steach; 21: PN: U.
S200400055655555 Duilleag: 17- 22 a 'tagradh sreath; 21: PN: US2004004004051 Duilleag: 23 Itquence air a ràdh; 22: PN: US2004004004699 Duilleag: 20 t-ainm a-steach sreath; 23: PN: US20040040040040006029 Duilleag: 23 sreath a chaidh a thagradh; 23: PN: W031010664545: 73 sreath a chaidh a thagradh; 94: P N: US20040040040005707 Duilleag: 20 Seòrsa air a ràdh
Spectra ri fhaighinn
1 h nmr
13 c nmr
Hetero nmr
Togalaichean rim faighinn
Bith-eòlasach
Ceimigeach
Lipinski
Structar co-cheangailte
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 2680 | Ph 1; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 71500 | Ph 2; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 7.21 X 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 4; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 5; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 6; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.00 x 106 | Ph 7; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 8.48 x 105 | Ph 8; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 1.39 x 105 | Ph 9; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 40300 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Seilbh | Luach | Suidheachadh | Stòr |
Koc | 1360 | Ph 1; Temp: 25 ° C. | (1) ACD |
Koc | 36300 | Ph 2; Temp: 25 ° C. | (1) ACD |
Koc | 3.66 x 105 | Ph 3; Temp: 25 ° C. | (1) ACD |
Koc | 1.13 x 106 | Ph 4; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Koc | 1.42 x 106 | Ph 5; Temp: 25 ° C. | (1) ACD |
Koc | 1.42 x 106 | Ph 6; Temp: 25 ° C. | (1) ACD |
Koc | 1.17 x 106 | Ph 7; Temp: 25 ° C. | (1) ACD |
Koc | 4.30 x 105 | Ph 8; Temp: 25 ° C. | (1) ACD |
Koc | 70800 | Ph 9; Temp: 25 ° C. | (1) ACD |
Koc | 20500 | Ph 10; Temp: 25 ° C. | (1) ACD |
logd | 5.77 | Ph 1; Temp: 25 ° C. | (1) ACD |
logd | 7.20 | Ph 2; Temp: 25 ° C. | (1) ACD |
logd | 8.20 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | 8.69 | Ph 4; Temp: 25 ° C. | (1) ACD |
logd | 8.79 | Ph 5; Temp: 25 ° C. | (1) ACD |
logd | 8.79 | Ph 6; Temp: 25 ° C. | (1) ACD |
logd | 8.71 | Ph 7; Temp: 25 ° C. | (1) ACD |
logd | 8.27 | Ph 8; Temp: 25 ° C. | (1) ACD |
logd | 7.49 | Ph 9; Temp: 25 ° C. | (1) ACD |
logd | 6.95 | Ph 10; Temp: 25 ° C. | (1) ACD |
logp | 8.803 ± 0.766 | Temp: 25 ° C. | (1) ACD |
Misneachd solbalileachd neo-ghnèitheach mòr | 5.4 X 10-5 G / L. | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 0.051 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.9 x 10-3 G / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.9 x 10-4 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 6.0 x 10-5 g / l | Ph 4; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.8 x 10-5 g / l | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 4.8 x 10-5 g / l | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.8 x 10-5 g / l | Ph 7; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.6 x 10-4 G / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 9.3 x 10-4 G / L | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 3.6 x 10-3 G / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.7 x 10-5 g / l | Uisge Unbuffered PH 6.97; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach molar | 5.8 x 10-8 Mol / L. | Temp: 25 ° C. | (1) ACD |
Solubility molar | 5.5 x 10-5 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
Solubility molar | 2.0 x 10-6 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Solubility molar | 2.0 x 10-7 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solubility molar | 6.4 x 10-8 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solubility molar | 5.1 x 10-8 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Solubility molar | 5.1 x 10-8 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
Solubility molar | 6.2 x 10-8 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.7 x 10-7 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.0 x 10-6 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solubility molar | 3.9 x 10-6 Mol / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solubility molar | 6.1 x 10-8 Mol / L. | Uisge Unbuffered PH 6.97; Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 932.01 | ||
paka | 7.87 ± 0.43 | Temp as searbhagach: 25 ° C. | (1) ACD |
paka | 3.45 ± 0.70 | Temp as bunaitiche: 25 ° C. | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Seilbh | Luach | Suidheachadh | Stòr |
Bannan gu tur ro-bheathaichte | 22 | (1) ACD | |
Hrrairean | 16 | (1) ACD | |
Hnors her | 1 | (1) ACD | |
H tabhartaiche / geurraiche suim | 17 | (1) ACD | |
logp | 8.803 ± 0.766 | Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 932.01 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Seilbh | Luach | Stòr cumhachd |
Raon uachdar pòla | 187 A2 | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Spectra ri fhaighinn
1 h nmr
13 c nmr
Còd ath-aithris cunntaraidh | |
H302 cronail ma tha thu a 'slugadh | Buidheann Ceimigeach Eòrpach (Echa) Seòrsachadh & Labeling Clàr-stuthan Cunntas-sluaigh agus Labeling - Nothan as cumanta, Buidheann Cheimigeach Eòrpach (Echa) Clàr-seilbhe & Labeling - Clàr-seilbhe fios agus bileag - A 'GABHAIL A-STEACH - A' mhòr-chuid de dh 'aithrisean as miosa |