C41h433n3O9, n-benzoyl-5'-o- [BIS (4-metroxyphenilyl) -2) -2, acuk
Sipat fisik konci | Nilai | Kaayaan |
Beurat molekular | 721.80 | - |
Titik lebur (ékspérimén) | 107-110 ° C | - |
Kapadetan (diprediksi) | 1.26 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr |
Pair (diprediksi) | 8.60 ± 0,40 | TEMP anu paling asam: 25 ° C |
Kanonical imut o = c1n = c (nc (= o) c = 2c = cc = cc2) c (c. ck) c
Imutterik
C (OC [C @ H] 1o [C @ H] ([C @ H] (Wroc)
Atchi
Inchi = 1s / C41h43n3o9o9 / C1-25-44 (40 (47) 47-37 (48-18) 38-11) 38-110
-9-6-1-14-29,30-15-19-32 (49-3) 20-16-30) 31-17-33 (50-4), 234,43,43-, 37,47,43-, 37,43-, 3 5-, 36-, 39- / m1 / s1
Konci inci
Byscuaikfifah-lzurgkrnsa-n
23 ngaran séjén pikeun zat ieu
N-Benzoyl-5'-o- [BIS (4--Metoxyphenyl 10: PN: WO0308478 Halaman: 57 ngaku RNA; 12: PN: US20030120130626: 17 TAXED R TA; 13: PN: US2003003030303017: 19 ngaku R NA; 14: PN: US20030
211604 Halaman: 19 ngaku R NA; 15: PN: US200400040005569 Halaman: 22 ngaku RA; 16: PN: US2004000600006030: 22 ngaku RA; 16: PN: US20040040048 Halaman: 20 ngaku R na; 17: PN: US2003001217131313: 9 ngaku R NA; 17: PN: US20040005565554 halaman: 17- 22 ngaku RNA; 17: PN: US2009995555550: 20 ngaku R NA; 17: PN: US20040040044 halaman: 20 ngaku R NA; 17: PN: US20040 US2000 21400: 20 ngaku RA; 18: PN: US200300303030999954 Halaman: 19 ngaku RA; 18: PN: US20040040064699 Halaman: 20 ngaku R NA; 19: PN: US200400060292 Halaman: 23 ngaku RA; 19: PN: Wo0306645 Halaman: 71 ngaku R NA; 59: PN: US20030030030396592: 15 klaim RNA; 6: Pn: Wo200500500694 halaman: 62 ngaku R NA; 83: PN: US20020040101964 halaman: 18 ngaku R NA; 8: PN: Wo2005007825
Halaman: 62 ngaku RA; 90: PN: US2009999907 Halaman: 20 ngaku R NA; N4-benzoyl-2'-o-methoxyletl-5'-o-di-ukuran-5-
methytygidine
Sipat sayogi |
Theresalia |
Theresalia
Harta | Nilai | Kaayaan | Sumber |
Titik lebur | 107-110 ° C | (1) CAS |
(1) Pujarla, srichylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
Spéktra sayogi
1h nmr
13c nmr
Sipat sayogi |
Biologis |
Kimia |
Perténaran |
Lipinski |
Struktur patali |
Biologis
Harta | Nilai | Kaayaan | Sumber |
Faktor bioconcation | 291 | pH 1; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 644 | pH 2; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 3690 | pH 3; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 15600 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 23700 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 24800 | pH 6; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Faktor bioconcation | 23300 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 14100 | pH 8; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 3010 | pH 9; Temp: 25 ° C | (1) ACD |
Faktor bioconcation | 558 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Kimia
Harta | Nilai | Kaayaan | Sumber |
Kub | 569 | pH 1; Temp: 25 ° C | (1) ACD |
Kub | 1260 | pH 2; Temp: 25 ° C | (1) ACD |
Kub | 7210 | pH 3; Temp: 25 ° C | (1) ACD |
Kub | 30400 | pH 4; Temp: 25 ° C | (1) ACD |
Kub | 46300 | pH 5; Temp: 25 ° C | (1) ACD |
Kub | 48500 | pH 6; Temp: 25 ° C | (1) ACD |
Kub | 45500 | pH 7; Temp: 25 ° C | (1) ACD |
Kub | 27500 | pH 8; Temp: 25 ° C | (1) ACD |
Kub | 5890 | pH 9; Temp: 25 ° C | (1) ACD |
Kub | 1090 | pH 10; Temp: 25 ° C | (1) ACD |
log As | 4.16 | pH 1; Temp: 25 ° C | (1) ACD |
log As | 4.50 | pH 2; Temp: 25 ° C | (1) ACD |
log As | 5.26 | pH 3; Temp: 25 ° C | (1) ACD |
log As | 5.88 | pH 4; Temp: 25 ° C | (1) ACD |
log As | 6.07 | pH 5; Temp: 25 ° C | (1) ACD |
log As | 6.09 | pH 6; Temp: 25 ° C | (1) ACD |
log As | 6.06 | pH 7; Temp: 25 ° C | (1) ACD |
log As | 5.84 | pH 8; Temp: 25 ° C | (1) ACD |
log As | 5.17 | pH 9; Temp: 25 ° C | (1) ACD |
log As | 4.44 | pH 10; Temp: 25 ° C | (1) ACD |
logp | 6.093 ± 0.720 | Temp: 25 ° C | (1) ACD |
Kebar intrinsik massic | 1,3 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
Sahubat massa | 0,011 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Sahubat massa | 5.0 x 10-3 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Sahubat massa | 8.7 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Sahubat massa | 2.1 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
Sahubat massa | 1.4 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1,3 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1.4 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Sahubat massa | 2.3 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1.1 x 10-3 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Sahubat massa | 5.8 x 10-3 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Sahubat massa | 1.4 x 10-4 g / l | Cai pH 6,97; Temp: 25 ° C | (1) ACD |
Kebar intrinsik molar | 1,8 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,5 x 10-5 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 6,9 x 10-6 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,2 x 10-6 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 2.9 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,9 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,8 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,9 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 3.2 x 10-7 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,5 x 10-6 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 8.0 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Kahirupan molar | 1,9 x 10-7 mol / l | Cai pH 6,97; Temp: 25 ° C | (1) ACD |
Beurat molekular | 721.80 | ||
Pka | 8.60 ± 0,40 | TEMP anu paling asam: 25 ° C | (1) ACD |
Pka | 3.87 ± 0,20 | Paling dasar temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Perténaran
Harta | Nilai | Kaayaan | Sumber |
Perténaran | 1.26 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
Masar | 572.5 ± 7.0 cm3 / mol | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Lipinski
Harta | Nilai | Kaayaan | Sumber |
Beungkeut bébas rotét | 15 | (1) ACD |
Harta | Nilai | Kaayaan | Sumber |
H panarima | 12 | (1) ACD | |
H donor | 2 | (1) ACD | |
H donor / panarima | 14 | (1) ACD | |
logp | 6.093 ± 0.720 | Temp: 25 ° C | (1) ACD |
Beurat molekular | 721.80 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Struktur patali
Harta | Nilai | Kaayaan | Sumber |
Daérah permukaan polar | 137 A2 | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1h nmr
13c nmr
Kode | Pernyataan Bahaya | Sumber |
H335 | Tiasa ngabalukarkeun iritasi respirator | Badan kimia Éropa (echa) klasifikasi & digambarkeun 9ering inventaris, klasiifikasi pangabutuh sareng bewara kimia Éropa, ocheling - paling penting |
H319 | Ngabalukarkeun iritasi panon serius | Badan kimia Éropa (echa) klasifikasi & digambarkeun 9ering inventaris, klasiifikasi pangabutuh sareng bewara kimia Éropa, ocheling - paling penting |
H315 | Ngabalukarkeun iritasi kulit | Badan kimia Éropa (echa) klasifikasi & digambarkeun 9ering inventaris, klasiifikasi pangabutuh sareng bewara kimia Éropa, ocheling - paling penting |