![C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimétilétil)dimétilsil]-N-(2-métil-1-oxopropyl)- (9CI, ACI )](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimétilétil)dimétilsil]-N-(2-métil-1-oxopropyl)- (9CI, ACI ) Gambar Diulas](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine.jpg)
C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimétilétil)dimétilsil]-N-(2-métil-1-oxopropyl)- (9CI, ACI )
| Sipat fisik konci | Nilai | kaayaan |
| Beurat Molekul | 769.96 | - |
| Kapadetan (diprediksi) | 1,25±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr |
| pKa (diprediksi) | 9.16±0.20 | Suhu Paling Asam: 25 °C |
Seuri Canonical O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6= CC=C(OC)C=C6)C(O)C3O[Si](C)(C)C(C)(C)C
Isomerik SMILES
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C3= C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC) C=C5)C6=CC=CC=C6
InChI
InChI=1S/C41H51N5O8Si/c1-25(2)36(48)44-39-43-35-32(37(49)45-39)42-24-46(35)38-34(54-55(54-55) 8,9)40(3,4)5)33(47)31(53-38)23-52-41(2 6-13-11-10-12-14-26,27-15-19-29 (50-6)20-16-27)28-17-21-30(51-7)22-18-28/h10-22,24-25,31,33-34,38,47H,23H2,1 -9H3,(H2,43,44,45,
48,49)/t31-,33-,34-,38-/m1/s1
InChI Key
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Ngaran séjén pikeun Zat ieu
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimétilétil)dimétilsilil]-N-(2-métil-1-oxopropil)guanosin (ACI)
Spéktra sadia
1H NMR
13C NMR
Massa
| Pasipatan sadia |
| Biologis |
| Kimia |
| Kapadetan |
| Lipinski |
| Struktur Patali |
Biologis
| Harta | Nilai | kaayaan | Sumber |
| Faktor Biokonsentrasi | 1,38 x 105 | pH 1; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 3,53 x 105 | pH 2; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 4.18 x 105 | pH 3; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 4.26 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 4.26 x 105 | pH 5; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 4.26 x 105 | pH 6; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 4.21 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 3,77 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 1,86 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Faktor Biokonsentrasi | 33800 | pH 10; Suhu: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kimia
| Harta | Nilai | kaayaan | Sumber |
| Koc | 1,21 x 105 | pH 1; Suhu: 25 °C | (1) ACD |
| Koc | 3,08 x 105 | pH 2; Suhu: 25 °C | (1) ACD |
| Koc | 3,65 x 105 | pH 3; Suhu: 25 °C | (1) ACD |
| Koc | 3,72 x 105 | pH 4; Suhu: 25 °C | (1) ACD |
| Koc | 3,73 x 105 | pH 5; Suhu: 25 °C | (1) ACD |
| Koc | 3,72 x 105 | pH 6; Suhu: 25 °C | (1) ACD |
| Koc | 3,68 x 105 | pH 7; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Koc | 3.30 x 105 | pH 8; Suhu: 25 °C | (1) ACD |
| Koc | 1,62 x 105 | pH 9; Suhu: 25 °C | (1) ACD |
| Koc | 29600 | pH 10; Suhu: 25 °C | (1) ACD |
| logD | 7.22 | pH 1; Suhu: 25 °C | (1) ACD |
| logD | 7.63 | pH 2; Suhu: 25 °C | (1) ACD |
| logD | 7.70 | pH 3; Suhu: 25 °C | (1) ACD |
| logD | 7.71 | pH 4; Suhu: 25 °C | (1) ACD |
| logD | 7.71 | pH 5; Suhu: 25 °C | (1) ACD |
| logD | 7.71 | pH 6; Suhu: 25 °C | (1) ACD |
| logD | 7.70 | pH 7; Suhu: 25 °C | (1) ACD |
| logD | 7.66 | pH 8; Suhu: 25 °C | (1) ACD |
| logD | 7.35 | pH 9; Suhu: 25 °C | (1) ACD |
| logD | 6.61 | pH 10; Suhu: 25 °C | (1) ACD |
| logP | 7.710±0.709 | Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Massa | 2,7 x 10-5 g/L | Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 8,5 x 10-5 g/L | pH 1; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,3 x 10-5 g/L | pH 2; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,8 x 10-5 g/L | pH 3; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,7 x 10-5 g/L | pH 4; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,7 x 10-5 g/L | pH 5; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,7 x 10-5 g/L | pH 6; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,8 x 10-5 g/L | pH 7; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,1 x 10-5 g/L | pH 8; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 6,2 x 10-5 g/L | pH 9; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 3,5 x 10-4 g/L | pH 10; Suhu: 25 °C | (1) ACD |
| Massa kaleyuran | 2,8 x 10-5 g/L | Cai Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Kalarutan Intrinsik Molar | 3,5 x 10-8 mol/L | Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 1,1 x 10-7 mol / L | pH 1; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,3 x 10-8 mol / L | pH 2; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,6 x 10-8 mol/L | pH 3; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,5 x 10-8 mol/L | pH 4; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,5 x 10-8 mol/L | pH 5; Suhu: 25 °C | (1) ACD |
| Harta | Nilai | kaayaan | Sumber |
| Kalarutan molar | 3,5 x 10-8 mol/L | pH 6; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,6 x 10-8 mol/L | pH 7; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,0 x 10-8 mol / L | pH 8; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 8,1 x 10-8 mol/L | pH 9; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 4,5 x 10-7 mol / L | pH 10; Suhu: 25 °C | (1) ACD |
| Kalarutan molar | 3,6 x 10-8 mol/L | Cai Unbuffered pH 7,00; Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 769.96 | ||
| pKa | 9.16±0.20 | Suhu Paling Asam: 25 °C | (1) ACD |
| pKa | 1,73±0,10 | Suhu Dasar: 25 °C | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kapadetan
| Harta | Nilai | kaayaan | Sumber |
| Kapadetan | 1,25±0,1 g/cm3 | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
| Volume Molar | 615,5±7,0 cm3/mol | Suhu: 20 °C; Pencét: 760 Torr | (1) ACD |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Harta | Nilai | kaayaan | Sumber |
| Bébas Rotatable Beungkeut | 14 | (1) ACD | |
| H Akséptor | 13 | (1) ACD | |
| H Donor | 3 | (1) ACD | |
| H Donor / Akséptor Jumlah | 16 | (1) ACD | |
| logP | 7.710±0.709 | Suhu: 25 °C | (1) ACD |
| Beurat Molekul | 769.96 |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Patali
| Harta | Nilai | kaayaan | Sumber |
| Wewengkon Permukaan Polar | 155 A2 | (1) ACD | |
(1) Diitung ngagunakeun Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spéktra sadia
1H NMR
13C NMR
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