C47H60N7O10P Guanosine, 5 '-o- [BIS (4-ManteXypyl) -NO- (2-METYOHPROPYL N, N-BIS (1-Methylethyl) (ACI)

Produk

C47H60N7O10P Guanosine, 5 '-o- [BIS (4-ManteXypyl) -NO- (2-METYOHPROPYL N, N-BIS (1-Methylethyl) (ACI)

Informasi dhasar:


Detail Produk

Tag Produk

Rincian bahan

Nomer Registri CAS

251647-55-9

H302

Properties fisik Key Regane Kondisi
Bobot molekuler 914.00 -
Pka (diprediksi) 9.16 ± 0,20 Temp paling asam: 25 ° C

Jeneng lan Identifikasi Liyane

Mesem kanonik

N # cccop (oc1c (oc (oc = nc = 3c (= o) n = c (oc) c5 (oc) c6occcoc) c5 c6

Mesem isomerat

C (oc [c @@@ h] 1 [c @_ h] (n (c) c) c (= o) n = c (c) n = c (c) n3) (c4 = cc) (c4 = c4 = cc (OC) C = C4) (C5 = CC = C (OC) C = C5) C5 = c5 = cc = cc = c6

INCI

Kopi = 1s / c47h60n7o10p / c1-30 (2) 43-46-50-39 (44) 49-26) 49-21 (62-65 (62-65-13-248) 54-68) 54 ( 31 (3) 4) 32 (5) 6) 38 (63-45) 28-61-47 (33-15-3-10-13 (58-2) 21-17-22-37 (59-5) 23-19-35 / H10-12,1438 , 40-41,45H, 13,25-28h2,1-9H3, (H2,0,50,51,2,55,56,56,56) / t38-, 40-, 41-, 45-, 65? / M1 / ​​s1

Kunci inci

Ladcdgnebiqaau-sbcraqivsa-n

17 Jeneng liya kanggo zat iki

Guanosine, 5 '-O- [bis (4-meteixyphenht) phenylmethyl] -2 '-O- (2-METEXYETHYL) -N- (2-metil-1-oxopropyl) -, 3 '- [2-Cyanoethyl BIS (1- Methylethyl) (9CI); 17: PN: US20030212017 Kaca: 20 urutan sing ngaku; 18: PN: US2003021111606 Kaca: 20

Urutan urutan; 19: PN: US200400055569 Kaca: 22 Ukuran urutan; 21: PN: US20040006030 Halaman: 23 urutan ngaku; 21: PN: US20040014047 Halaman: 21 Ukuran urutan; 21: PN: US200400149 Kaca: 21 Ukuran urutan; 22: PN: US20030198965 Pag

E: 20 urutan sing ngaku; 22: PN: US20040005570 kaca: 21 nyatakake urutan; 22: PN: US20040014048 Kaca: 21 Urutan urutan;

22: PN: US200400140 Halaman: 21 Urutan urutan; 23: PN: US200400055565 Halaman: 17- 22 ngaku urutan; 23: PN: US20040

014051 Kaca: 23 urutan sing ngaku; 24: PN: US20040014699 Kaca: 21 nyatakake urutan; 25: PN: US20040006029 Kaca: 23 urutan nyatakake; 25: PN: WOX3106645 Halaman: 73 urutan; 96: PN: US20040005707 Halaman: 21 Ukuran urutan

Spektral Eksperimen

Spektrum kasedhiya
13 c nmr
Hetero nmr

Properti sing diramalake

Properties kasedhiya
Biologis
Kimia
Lipinski
Struktur sing gegandhengan

Biologis

Properti Regane Kondisi Sumber
Faktor biokentrasi 121 PH 1; Temp: 25 ° C (1) ACD
Faktor biokentrasi 2580 PH 2; Temp: 25 ° C (1) ACD
Faktor biokentrasi 23500 PH 3; Temp: 25 ° C (1) ACD
Faktor biokentrasi 71800 pH 4; Temp: 25 ° C (1) ACD
Faktor biokentrasi 89800 pH 5; Temp: 25 ° C (1) ACD
Faktor biokentrasi 92100 pH 6; Temp: 25 ° C (1) ACD
Faktor biokentrasi 91300 pH 7; Temp: 25 ° C (1) ACD
Faktor biokentrasi 82500 PH 8; Temp: 25 ° C (1) ACD
Faktor biokentrasi 42200 PH 9; Temp: 25 ° C (1) ACD
Faktor biokentrasi 7860 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 164 PH 1; Temp: 25 ° C (1) ACD
Koc 3480 PH 2; Temp: 25 ° C (1) ACD
Koc 31700 PH 3; Temp: 25 ° C (1) ACD
Koc 96900 pH 4; Temp: 25 ° C (1) ACD
Koc 1.21 x 105 pH 5; Temp: 25 ° C (1) ACD

 

Properti Regane Kondisi Sumber
Koc 1.24 x 105 pH 6; Temp: 25 ° C (1) ACD
Koc 1.23 x 105 pH 7; Temp: 25 ° C (1) ACD
Koc 1.11 x 105 PH 8; Temp: 25 ° C (1) ACD
Koc 56900 PH 9; Temp: 25 ° C (1) ACD
Koc 10600 PH 10; Temp: 25 ° C (1) ACD
logd 3.95 PH 1; Temp: 25 ° C (1) ACD
logd 5.28 PH 2; Temp: 25 ° C (1) ACD
logd 6.24 PH 3; Temp: 25 ° C (1) ACD
logd 6.73 pH 4; Temp: 25 ° C (1) ACD
logd 6.82 pH 5; Temp: 25 ° C (1) ACD
logd 6.83 pH 6; Temp: 25 ° C (1) ACD
logd 6.83 pH 7; Temp: 25 ° C (1) ACD
logd 6.79 PH 8; Temp: 25 ° C (1) ACD
logd 6,50 PH 9; Temp: 25 ° C (1) ACD
logd 5.77 PH 10; Temp: 25 ° C (1) ACD
logp 6.837 ± 0.764 Temp: 25 ° C (1) ACD
Kelarutan Kelainan Intrinsik Massa 4.4 x 10-4 g / l Temp: 25 ° C (1) ACD
Kelarutan massa 0.34 g / l PH 1; Temp: 25 ° C (1) ACD
Kelarutan massa 0,016 g / l PH 2; Temp: 25 ° C (1) ACD
Kelarutan massa 1.7 x 10-3 g / l PH 3; Temp: 25 ° C (1) ACD
Kelarutan massa 5.7 x 10-4 g / l pH 4; Temp: 25 ° C (1) ACD
Kelarutan massa 4.6 x 10-4 g / l pH 5; Temp: 25 ° C (1) ACD
Kelarutan massa 4.4 x 10-4 g / l pH 6; Temp: 25 ° C (1) ACD
Kelarutan massa 4.5 x 10-4 g / l pH 7; Temp: 25 ° C (1) ACD
Kelarutan massa 4.9 x 10-4 g / l PH 8; Temp: 25 ° C (1) ACD
Kelarutan massa 1.0 x 10-3 g / l PH 9; Temp: 25 ° C (1) ACD
Kelarutan massa 5.2 x 10-3 g / l PH 10; Temp: 25 ° C (1) ACD
Kelarutan massa 4.5 x 10-4 g / l Banyu banyu sing ora dibayar 6.99; Temp: 25 ° C (1) ACD
Kelarutan Kelaresan Inttrinsik Molar 4.8 x 10-7 mol / l Temp: 25 ° C (1) ACD
Kelarutan molar 3.7 x 10-4 mol / l PH 1; Temp: 25 ° C (1) ACD
Kelarutan molar 1.7 x 10-5 mol / l PH 2; Temp: 25 ° C (1) ACD
Kelarutan molar 1.9 x 10-6 mol / l PH 3; Temp: 25 ° C (1) ACD

 

Properti Regane Kondisi Sumber
Kelarutan molar 6.2 x 10-7 mol / l pH 4; Temp: 25 ° C (1) ACD
Kelarutan molar 5.0 x 10-7 mol / l pH 5; Temp: 25 ° C (1) ACD
Kelarutan molar 4.8 x 10-7 mol / l pH 6; Temp: 25 ° C (1) ACD
Kelarutan molar 4.9 x 10-7 mol / l pH 7; Temp: 25 ° C (1) ACD
Kelarutan molar 5.4 x 10-7 mol / l PH 8; Temp: 25 ° C (1) ACD
Kelarutan molar 1.1 x 10-6 mol / l PH 9; Temp: 25 ° C (1) ACD
Kelarutan molar 5.7 x 10-6 mol / l PH 10; Temp: 25 ° C (1) ACD
Kelarutan molar 4.9 x 10-7 mol / l Banyu banyu sing ora dibayar 6.99; Temp: 25 ° C (1) ACD
Bobot molekuler 914.00    
PKA 9.16 ± 0,20 Temp paling asam: 25 ° C (1) ACD
PKA 3.45 ± 070 Umume Temp: 25 ° C (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 22   (1) ACD
H Nampa 17   (1) ACD
H donor 2   (1) ACD
H Donor / Sumrah Panampa 19   (1) ACD
logp 6.837 ± 0.764 Temp: 25 ° C (1) ACD
Bobot molekuler 914.00    

(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)

Struktur sing gegandhengan

Properti Regane Sumber kahanan
Area permukaan polar 203 A2 (1) ACD

(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)

Diramalake spektrasi

Spektrum kasedhiya
1 h nmr
13 c nmr

Pratelan Gahs Grazard

Sumber Statement Code Hazard
H302 mbebayani yen ditelan Badan Kimia Eropa (Procha) Klasifikasi & Labeling

Inventori - Klasifikasi Dalan lan Label - Kabar Umum Umum, Badan Kimia Eropa (ECHA)

Klasifikasi & Label Inventorial Inventori - Klasifikasi Dalan lan Label - Kabar Paling Seri serius


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