C41H51N1O8SI Guanosine, 5'-O- [BIS (4-ManteXypyl) -2'-o - (1-methropylethyl) - (9-methropylathyl)

Produk

C41H51N1O8SI Guanosine, 5'-O- [BIS (4-ManteXypyl) -2'-o - (1-methropylethyl) - (9-methropylathyl)

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Detail Produk

Tag Produk

Properties fisik

Properties fisik Key Regane Kondisi
Bobot molekuler 769.96 -
Kapadhetan (diprediksi) 1.25 ± 0,1 g / cm3 Temp: 20 ° C; Pencet: 760 torr
Pka (diprediksi) 9.16 ± 0,20 Temp paling asam: 25 ° C

Jeneng lan Identifikasi Liyane

Mesem canonical o = c1n = c (nc (= o) c (c) c) nc2 = c5 = c5 (c) (c) (c) c3 (c) (c) c
Mesem isomerat
C (OC [C @ h] 1O [C @ H] ([C) (c) (C)) 1o) 1O) 1 C (n = C2) c ( = O) n = c (nc (c (c) c) = o) n3) (c4 = c5) (oc) c5 (oc) c5 c6 = c5 = c5 = c5
INCI
Kopi = 1s / c41h51o8si / c1-25 (2) 36 (48 (34-55) 42 (3,4) 40 (33-3) 2013 (53-3) 23-52-7) 23-52-7) 6-13-11-10-12-147-15-15,27-15-19-29 (50-6) 20-16-27) 28-17-21-30 (51-7) 228,3,33-2,31,3,17h, 237,3-9H3,
48,49) / t31-, 33-, 34-, 38- / m1 / s1
Kunci inci
Jmcnkjfoijgyrg-cjegosrcsa-n
1 Jeneng liyane kanggo zat iki
5'-o- [bis (4-meteixyphentry) -2'-o - [(1,1-dimethylylethyl] dimethropylethyl] dimethropylyl] dimethropylyl] dimethropropylyl) Guanosine (ACI)

Spektral Eksperimen

Spektrum kasedhiya
1h nmr
13c NMR
Massa

Properti sing diramalake

Properties kasedhiya
Biologis
Kimia
Kapadhetan
Lipinski
Struktur sing gegandhengan

Biologis

Properti Regane Kondisi Sumber
Faktor biokentrasi 1.38 x 105 PH 1; Temp: 25 ° C (1) ACD
Faktor biokentrasi 3.53 x 105 PH 2; Temp: 25 ° C (1) ACD
Faktor biokentrasi 4.18 x 105 PH 3; Temp: 25 ° C (1) ACD
Faktor biokentrasi 4.26 x 105 pH 4; Temp: 25 ° C (1) ACD
Faktor biokentrasi 4.26 x 105 pH 5; Temp: 25 ° C (1) ACD
Faktor biokentrasi 4.26 x 105 pH 6; Temp: 25 ° C (1) ACD
Faktor biokentrasi 4.21 x 105 pH 7; Temp: 25 ° C (1) ACD
Faktor biokentrasi 3.77 x 105 PH 8; Temp: 25 ° C (1) ACD
Faktor biokentrasi 1.86 x 105 PH 9; Temp: 25 ° C (1) ACD
Faktor biokentrasi 33800 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 1.21 x 105 PH 1; Temp: 25 ° C (1) ACD
Koc 3.08 x 105 PH 2; Temp: 25 ° C (1) ACD
Koc 3.65 x 105 PH 3; Temp: 25 ° C (1) ACD
Koc 3.72 x 105 pH 4; Temp: 25 ° C (1) ACD
Koc 3.73 x 105 pH 5; Temp: 25 ° C (1) ACD
Koc 3.72 x 105 pH 6; Temp: 25 ° C (1) ACD
Koc 3.68 x 105 pH 7; Temp: 25 ° C (1) ACD

 

Properti Regane Kondisi Sumber
Koc 3.30 x 105 PH 8; Temp: 25 ° C (1) ACD
Koc 1.62 x 105 PH 9; Temp: 25 ° C (1) ACD
Koc 29600 PH 10; Temp: 25 ° C (1) ACD
logd 7.22 PH 1; Temp: 25 ° C (1) ACD
logd 7.63 PH 2; Temp: 25 ° C (1) ACD
logd 7.70 PH 3; Temp: 25 ° C (1) ACD
logd 7.71 pH 4; Temp: 25 ° C (1) ACD
logd 7.71 pH 5; Temp: 25 ° C (1) ACD
logd 7.71 pH 6; Temp: 25 ° C (1) ACD
logd 7.70 pH 7; Temp: 25 ° C (1) ACD
logd 7.66 PH 8; Temp: 25 ° C (1) ACD
logd 7.35 PH 9; Temp: 25 ° C (1) ACD
logd 6.61 PH 10; Temp: 25 ° C (1) ACD
logp 7.710 ± 0709 Temp: 25 ° C (1) ACD
Kelarutan Kelainan Intrinsik Massa 2.7 x 10-5 g / l Temp: 25 ° C (1) ACD
Kelarutan massa 8.5 x 10-5 g / l PH 1; Temp: 25 ° C (1) ACD
Kelarutan massa 3.3 x 10-5 g / l PH 2; Temp: 25 ° C (1) ACD
Kelarutan massa 2.8 x 10-5 g / l PH 3; Temp: 25 ° C (1) ACD
Kelarutan massa 2.7 x 10-5 g / l pH 4; Temp: 25 ° C (1) ACD
Kelarutan massa 2.7 x 10-5 g / l pH 5; Temp: 25 ° C (1) ACD
Kelarutan massa 2.7 x 10-5 g / l pH 6; Temp: 25 ° C (1) ACD
Kelarutan massa 2.8 x 10-5 g / l pH 7; Temp: 25 ° C (1) ACD
Kelarutan massa 3.1 x 10-5 g / l PH 8; Temp: 25 ° C (1) ACD
Kelarutan massa 6.2 x 10-5 g / l PH 9; Temp: 25 ° C (1) ACD
Kelarutan massa 3,5 x 10-4 g / l PH 10; Temp: 25 ° C (1) ACD
Kelarutan massa 2.8 x 10-5 g / l Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C (1) ACD
Kelarutan Kelaresan Inttrinsik Molar 3,5 x 10-8 mol / l Temp: 25 ° C (1) ACD
Kelarutan molar 1.1 x 10-7 mol / l PH 1; Temp: 25 ° C (1) ACD
Kelarutan molar 4.3 x 10-8 mol / l PH 2; Temp: 25 ° C (1) ACD
Kelarutan molar 3.6 x 10-8 mol / l PH 3; Temp: 25 ° C (1) ACD
Kelarutan molar 3,5 x 10-8 mol / l pH 4; Temp: 25 ° C (1) ACD
Kelarutan molar 3,5 x 10-8 mol / l pH 5; Temp: 25 ° C (1) ACD

 

Properti Regane Kondisi Sumber
Kelarutan molar 3,5 x 10-8 mol / l pH 6; Temp: 25 ° C (1) ACD
Kelarutan molar 3.6 x 10-8 mol / l pH 7; Temp: 25 ° C (1) ACD
Kelarutan molar 4.0 x 10-8 mol / l PH 8; Temp: 25 ° C (1) ACD
Kelarutan molar 8.1 x 10-8 mol / l PH 9; Temp: 25 ° C (1) ACD
Kelarutan molar 4,5 x 10-7 mol / l PH 10; Temp: 25 ° C (1) ACD
Kelarutan molar 3.6 x 10-8 mol / l Banyu banyu sing ora diluncurake 7.00; Temp: 25 ° C (1) ACD
Bobot molekuler 769.96    
PKA 9.16 ± 0,20 Temp paling asam: 25 ° C (1) ACD
PKA 1.73 ± 0.10 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 1.25 ± 0,1 g / cm3 Temp: 20 ° C; Pencet: 760 torr (1) ACD
Jilid Molar 615.5 ± 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 14   (1) ACD
H Nampa 13   (1) ACD
H donor 3   (1) ACD
H Donor / Sumrah Panampa 16   (1) ACD
logp 7.710 ± 0709 Temp: 25 ° C (1) ACD
Bobot molekuler 769.96    

(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 155 A2 (1) ACD

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

Diramalake spektrasi

Spektrum kasedhiya
1h nmr
13c NMR


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