C41H43N3O9 Cytidine, N-Benzoic-5'-O- [4-Neach-obrach) -5-Methyl- (2-Neach-obrach) -5-me-5-methyl- (2-neach-dèanaidh) -5-me-5-me-o-
Prìomh thogalaichean corporra | Luach | Suidheachadh |
Cuideam molecular | 721.80 | - |
Puing leaghte (deuchainneach) | 107-110 ° C. | - |
Dùmhlachd (ro-innse) | 1.26 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr |
paka (ro-innse) | 8.60 ± 0.40 | Temp as searbhagach: 25 ° C. |
Gàire canonical o = c1n (= o) c = cc = cc = cc = cc = cc = c = cc = c (Oc) c = c6) c = c6) c (o) c
Gàire isomicic
C (OC [C @ B] 1O [C @B = CC = cc = cc = cc = cc = cc = cc = c (OC) c = c5) C6 = cc = cc = c6
Inchi
Inchi = 1s / c4H43N3O9 / C4-27-25-44-2-28 (46-28 (46-2-28) 34-59) 26-52-41 (29-13
-9-6-10-14-29,30-130-32 (49-32-33 (50-42,46,4-2-3 "36-, 39- / s1
Iuchair Inchi
ByscluikFahfah-lzurgkrnsa-n
23 Ainmean eile airson an stuth seo
N-beinnzoyl-5'-o- [bis (4-neach-breith impenthyl] -2'- modh-obrach) -5-methylcytidine (ACI); 10: PN: W03084478 Duilleag: 57 Chaidh 57 Rna; 12: PN: US20030170636 Duilleag: 17 A 'tagradh r na; 13: PN: US20030212017 duilleag: 19 Air an tagradh r na; 14: PN: US20030
211606 Duilleag: 19 Air an tagradh r na; 15: PN: US20040040040040040005569 Duilleag: 22 A 'tagradh R na; 16: PN: US20040040040040006030 Duilleag: 22 Air a chuir a-steach R na; 16: PN: US20040040014048 Duilleag: 20 tagradh R na; 17: PN: US200301713 Page1313 Duilleag1313 Duilleag: 9 tagradh r na; 17: PN: US200400400400400400400400400400565 Duilleag: 17- Chaidh RNA a tha a 'tagradh; 17: PN: US20040040040040040005570 Duilleag: 20 tagradh R na; 17: PN: US2004004047 Duilleag: 20 tagradh R na; 17: PN: US20040 014050 Duilleag: 20 Air a riochdachadh de R na; 18: PN: US20030198965 Duilleag: 19 Air an tagradh r na; 18: PN: US2004004004004699 Duilleag: 20 Air a riochdachadh de R na; 19: PN: US20040040040040006029 Duilleag: 23 A 'tagradh R na; 19: PN: W03106645445: 71 Chaidh 71 a chuir a-steach R na; 59: PN: US20030-120016692 Duilleag: 15 Air a riochdachadh RNA; 6: PN: WOMANTO2005006958 Duilleag: 62 Air a ràdh gun na; 83: PN: US200401715666 Duilleag1566 Duilleag: 18 A 'tagradh r na; 8: PN: Wo2005007825
Duilleag: 62 Air a ràdh gun deach R na; 90: PN: US20040040040040005707 Duilleag: 20 tagradh R na; N4-benzoic-2'-o-modh-obrach-5'-o-dimetthystrystrityl-5-
methylcytidine
Togalaichean rim faighinn |
Thermal |
Thermal
Seilbh | Luach | Suidheachadh | Stòr |
Puing leaghaidh | 107-110 ° C. | (1) cas |
(1) Penjarla, srishylam; Nuceacan-omha-cheum & luchd-riaghailteach agus nccccicides, (2018), 37 (4), 232-247, caperlus
Spectra ri fhaighinn
1h nmr
13c nmr
Togalaichean rim faighinn |
Bith-eòlasach |
Ceimigeach |
Dùmhlachd |
Lipinski |
Structar co-cheangailte |
Bith-eòlasach
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 291 | Ph 1; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 644 | Ph 2; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 3690 | Ph 3; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 15600 | Ph 4; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 23700 | Ph 5; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 24800 | Ph 6; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Dà fhaclan bith-eòlasach | 23300 | Ph 7; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 14100 | Ph 8; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 3010 | Ph 9; Temp: 25 ° C. | (1) ACD |
Dà fhaclan bith-eòlasach | 558 | 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)
Ceimigeach
Seilbh | Luach | Suidheachadh | Stòr |
Koc | 569 | Ph 1; Temp: 25 ° C. | (1) ACD |
Koc | 1260 | Ph 2; Temp: 25 ° C. | (1) ACD |
Koc | 7210 | Ph 3; Temp: 25 ° C. | (1) ACD |
Koc | 30400 | Ph 4; Temp: 25 ° C. | (1) ACD |
Koc | 46300 | Ph 5; Temp: 25 ° C. | (1) ACD |
Koc | 48500 | Ph 6; Temp: 25 ° C. | (1) ACD |
Koc | 45500 | Ph 7; Temp: 25 ° C. | (1) ACD |
Koc | 27500 | Ph 8; Temp: 25 ° C. | (1) ACD |
Koc | 5890 | Ph 9; Temp: 25 ° C. | (1) ACD |
Koc | 1090 | Ph 10; Temp: 25 ° C. | (1) ACD |
logd | 4.16 | Ph 1; Temp: 25 ° C. | (1) ACD |
logd | 4.50 | Ph 2; Temp: 25 ° C. | (1) ACD |
logd | 5.26 | Ph 3; Temp: 25 ° C. | (1) ACD |
logd | 5.88 | Ph 4; Temp: 25 ° C. | (1) ACD |
logd | 6.07 | Ph 5; Temp: 25 ° C. | (1) ACD |
logd | 6.09 | Ph 6; Temp: 25 ° C. | (1) ACD |
logd | 6.06 | Ph 7; Temp: 25 ° C. | (1) ACD |
logd | 5.84 | Ph 8; Temp: 25 ° C. | (1) ACD |
logd | 5.17 | Ph 9; Temp: 25 ° C. | (1) ACD |
logd | 4.44 | Ph 10; Temp: 25 ° C. | (1) ACD |
logp | 6.093 ± 0.720 | Temp: 25 ° C. | (1) ACD |
Misneachd solbalileachd neo-ghnèitheach mòr | 1.3 x 10-4 G / L | Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 0.011 G / L | Ph 1; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.0 x 10-3 G / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 8.7 x 10-4 G / L | Ph 3; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 2.1 x 10-4 G / L | Ph 4; Temp: 25 ° C. | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Solbuility mòr | 1.4 x 10-4 G / L | Ph 5; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.3 x 10-4 G / L | Ph 6; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.4 x 10-4 G / L | Ph 7; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 2.3 X 10-4 G / L | Ph 8; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.1 x 10-3 G / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 5.8 x 10-3 G / L. | Ph 10; Temp: 25 ° C. | (1) ACD |
Solbuility mòr | 1.4 x 10-4 G / L | Uisge Unbuffered PH 6.97; Temp: 25 ° C. | (1) ACD |
Solbalileachd neo-ghnèitheach molar | 1.8 x 10-7 Mol / L. | Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.5 x 10-5 Mol / L. | Ph 1; Temp: 25 ° C. | (1) ACD |
Solubility molar | 6.9 x 10-6 Mol / L. | Ph 2; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.2 x 10-6 Mol / L. | Ph 3; Temp: 25 ° C. | (1) ACD |
Solubility molar | 2.9 x 10-7 Mol / L. | Ph 4; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.9 x 10-7 Mol / L. | Ph 5; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.8 x 10-7 Mol / L. | Ph 6; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.9 x 10-7 Mol / L. | Ph 7; Temp: 25 ° C. | (1) ACD |
Solubility molar | 3.2 x 10-7 Mol / L. | Ph 8; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.5 x 10-6 Mol / L. | Ph 9; Temp: 25 ° C. | (1) ACD |
Solubility molar | 8.0 x 10-6 mol / l | Ph 10; Temp: 25 ° C. | (1) ACD |
Solubility molar | 1.9 x 10-7 Mol / L. | Uisge Unbuffered PH 6.97; Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 721.80 | ||
paka | 8.60 ± 0.40 | Temp as searbhagach: 25 ° C. | (1) ACD |
paka | 3.87 ± 0.20 | 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)
Dùmhlachd
Seilbh | Luach | Suidheachadh | Stòr |
Dùmhlachd | 1.26 ± 0.1 G / cm3 | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
Tomhas-lìonaidh molar | 572.5 ± 7.0 cm3 / mol | Temp: 20 ° C; Brùth: 760 Torr | (1) ACD |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Lipinski
Seilbh | Luach | Suidheachadh | Stòr |
Bannan gu tur ro-bheathaichte | 15 | (1) ACD |
Seilbh | Luach | Suidheachadh | Stòr |
Hrrairean | 12 | (1) ACD | |
Hnors her | 2 | (1) ACD | |
H tabhartaiche / geurraiche suim | 14 | (1) ACD | |
logp | 6.093 ± 0.720 | Temp: 25 ° C. | (1) ACD |
Cuideam molecular | 721.80 |
(1) Air a thomhas a 'cleachdadh leasachadh ceimigeachd adhartach (ACD / LABS) Bathar-bog V11.02 (© 1994-2023 ACD / LAìoban)
Structar co-cheangailte
Seilbh | Luach | Suidheachadh | Stòr |
Raon uachdar pòla | 137 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
1h nmr
13c nmr
Còd | Aithris cunnart | Stòr |
H335 | Faodaidh e irioslachd analach adhbhrachadh | Buidheann Buidheann-cheist Eòrpach (Echa) Clàraidh Clàraidh & Labeling Seòrsachadh agus Labeling - Clàr-taic Buidheann Cheamigeach Eòrpach (Echa) Seòrsachadh agus Labeling - a 'mhòr-chuid de dh' aithrisean as miosa |
H319 | Ag adhbhrachadh droch bhèitheas sùla | Buidheann Buidheann-cheist Eòrpach (Echa) Clàraidh Clàraidh & Labeling Seòrsachadh agus Labeling - Clàr-taic Buidheann Cheamigeach Eòrpach (Echa) Seòrsachadh agus Labeling - a 'mhòr-chuid de dh' aithrisean as miosa |
H315 | Ag adhbhrachadh mì-thoileachas craiceann | Buidheann Buidheann-cheist Eòrpach (Echa) Clàraidh Clàraidh & Labeling Seòrsachadh agus Labeling - Clàr-taic Buidheann Cheamigeach Eòrpach (Echa) Seòrsachadh agus Labeling - a 'mhòr-chuid de dh' aithrisean as miosa |