C41H43N3O9 CYTIDINE, N-BENZOYL-5'-O- [BIS (4-meteixyhyl] -2'-metyl- (9Ci, ACI) H335, H319, H315
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 721.80 | - |
Lelting Point (Eksperimen) | 107-110 ° C | - |
Kapadhetan (diprediksi) | 1,26 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
Pka (diprediksi) | 8.60 ± 0.40 | Temp paling asam: 25 ° C |
Mesem kanonik o = c1n = c (nc (= o) c = 2c = c4 = c5 = c5 = c5 = c5) c6 = c6) c
Mesem isomerat
C (OC [C @ h] 1O [C @ h] ([OC) C3 = C4) (OC) C3 = C4) (OC) C3 = C4) C6 = CC = CC = C6
INCI
Kopi = 1s / c41h43n3O9 / c1-27-25-44 (40 (47) 43-37 (46-7-5-8-12-2) 35-12-2) 35-12-2) 26-52-59) 26-52-59) 26-52-59
-9-6-10-14-29,30-15-19-32 (49-3) 20-17-21-33 (50-4) 22-17-22,3,44,24,26,46,46,46,46,46,46,46,46,46,46,46,46,46,46,46,46,46,46,46-, 39- / S1
Kunci inci
Byscluaikfefah-lzurgkrnsa-n
23 Jeneng liyane kanggo zat iki
N-benzoyl-5'-o- [BIS (4-meteixyphenyl) -2'-o- (2-METOXYECHYL) -5-methylcylcytidine; 10: PN: WOX3084478 Kaca: 57 ngaku RNA; 12: PN: US20030170636 Kaca: 17 ngaku R NA; 13: PN: US20030212017 Kaca: 19 ngaku R NA; 14: PN: US20030
211606 kaca: 19 ngaku R NA; 15: PN: US200400055569 Kaca: 22 Nuduhake RA; 16: PN: US20040006030 Halaman: 22 Nuduhake R NA; 16: PN: US20040014048 Kaca: 20 sing ngaku R NA; 17: PN: US20030171313 Kaca: 9; 17: PN: US20040005565 Halaman: 17- 22 ngaku RNA; 17: PN: US20040005570 Halaman: 20 nyatakake R NA; 17: PN: US20040014047 Halaman: 20 nyatakake R NA; 17: PN: US20040 014050 kaca: 20 nyatakake R NA; 18: PN: US20030198965 Halaman: 19 ngaku R NA; 18: PN: US20040014699 Kaca: 20 nyatakake R NA; 19: PN: US20040006029 Kaca: 23 ngaku RA; 19: PN: WO23106645 Halaman: 71 RA; 59: PN: US20030166592 Halaman: 15 ngaku RNA; 6: PN: WO2005006958 Halaman: 62 ngaku R NA; 83: PN: US2004017156666666666666666 kaca: 18 nyatakake R NA; 8: pn: wo2005007825
Halaman: 62 ngaku R NA; 90: PN: US20040005707 Halaman: 20 nyatakake R NA; N4-benzoyl-2'-O-METEXYETL-5'-o-o-o-o-DimethoxyTrityl-5-
Methyltidine
Properties kasedhiya |
Termal |
Termal
Properti | Regane | Kondisi | Sumber |
Titik lebur | 107-110 ° C | (1) cas |
(1) Penjarla, Srishylam; Nukleosida, nukléotida & asam nukleat, (2018), 37 (4), 232-247, caplus
Spektrum kasedhiya
1h nmr
13c NMR
Properties kasedhiya |
Biologis |
Kimia |
Kapadhetan |
Lipinski |
Struktur sing gegandhengan |
Biologis
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 291 | PH 1; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 644 | PH 2; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 3690 | PH 3; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 15600 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 23700 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 24800 | pH 6; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 23300 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 14100 | PH 8; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 3010 | PH 9; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 558 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kimia
Properti | Regane | Kondisi | Sumber |
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 |
Kelarutan Kelainan Intrinsik Massa | 1.3 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0,011 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.0 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 8.7 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.1 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Kelarutan massa | 1,4 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.3 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1,4 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 2.3 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.1 x 10-3 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.8 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1,4 x 10-4 g / l | Banyu banyu sing ora dibayar 6.97; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 1.8 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1,5 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 6.9 x 10-6 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.2 x 10-6 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 2.9 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.9 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.8 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.9 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 3.2 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1,5 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 8.0 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.9 x 10-7 mol / l | Banyu banyu sing ora dibayar 6.97; Temp: 25 ° C | (1) ACD |
Bobot molekuler | 721.80 | ||
PKA | 8.60 ± 0.40 | Temp paling asam: 25 ° C | (1) ACD |
PKA | 3.87 ± 0,20 | Umume Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kapadhetan
Properti | Regane | Kondisi | Sumber |
Kapadhetan | 1,26 ± 0,1 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
Jilid Molar | 572.5 ± 7.0 cm3 / mol | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Lipinski
Properti | Regane | Kondisi | Sumber |
Obligasi kanthi bebas | 15 | (1) ACD |
Properti | Regane | Kondisi | Sumber |
H Nampa | 12 | (1) ACD | |
H donor | 2 | (1) ACD | |
H Donor / Sumrah Panampa | 14 | (1) ACD | |
logp | 6.093 ± 0.720 | Temp: 25 ° C | (1) ACD |
Bobot molekuler | 721.80 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Struktur sing gegandhengan
Properti | Regane | Kondisi | Sumber |
Area permukaan polar | 137 A2 | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
13c NMR
Kode | Statement bahaya | Sumber |
H335 | Bisa nyebabake gangguan ambegan | Badan Kimia Eropa (Echa) Klasifikasi & Inventori Label - Klasifikasi Dalan - Label - Kabar Umum Umum, Kelas Kimia Eropa (Label Cahaya |
H319 | Nyebabake gangguan mripat serius | Badan Kimia Eropa (Echa) Klasifikasi & Inventori Label - Klasifikasi Dalan - Label - Kabar Umum Umum, Kelas Kimia Eropa (Label Cahaya |
H315 | Nyebabake gangguan kulit | Badan Kimia Eropa (Echa) Klasifikasi & Inventori Label - Klasifikasi Dalan - Label - Kabar Umum Umum, Kelas Kimia Eropa (Label Cahaya |