C41h433n3O9, n-benzoyl-5'-o- [BIS (4-metroxyphenilyl) -2) -2, acuk

produk

C41h433n3O9, n-benzoyl-5'-o- [BIS (4-metroxyphenilyl) -2) -2, acuk

Inpormasi dasar:


Jénmén produk

Tag produk

Pasipatan fisik

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

Ngaran sareng identifikasi

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 ékspérimén

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

Spésér ékspérimén

Spéktra sayogi
1h nmr
13c nmr

Diulalkeun sipat

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 ngaduga spéktra

Spéktra sayogi
1h nmr
13c nmr

Pernyataan bahaya

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

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