![C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]-N-(2-methyl-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- dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI ) Kiʻi Hōʻikeʻike](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine.jpg)
C41H51N5O8Si Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)- (9CI, ACI )
| Na Waiwai Kino Nui | Waiwai | Kūlana |
| Kaumaha Molekala | 769.96 | - |
| ʻAiʻa (Wanamua) | 1.25±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr |
| pKa (Wanamua) | 9.16±0.20 | ʻO ka Mahaʻawaʻawa loa: 25 °C |
Canonical SMILES 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
NĀ ʻAʻO ʻIsomeric
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)=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 Ki
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 inoa ʻē aʻe no kēia mea
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]-N-(2-methyl-1-oxopropyl)guanosine (ACI)
Loaʻa ka Spectra
1H NMR
13C NMR
Mass
| Loaʻa nā waiwai |
| olaola |
| Kemika |
| ʻO ka mānoanoa |
| Lipinski |
| Hoʻonohonoho pili |
olaola
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ke kumu bioconcentration | 1.38 x 105 | pH 1;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3.53 x 105 | pH 2;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 4.18 x 105 | pH 3;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 4.26 x 105 | pH 4;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 4.26 x 105 | pH 5;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 4.26 x 105 | pH 6;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 4.21 x 105 | pH 7;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 3.77 x 105 | pH 8;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 1.86 x 105 | pH 9;Mahana: 25 °C | (1) ACD |
| ʻO ke kumu bioconcentration | 33800 | pH 10;Mahana: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Kemika
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 1.21 x 105 | pH 1;Mahana: 25 °C | (1) ACD |
| Koc | 3.08 x 105 | pH 2;Mahana: 25 °C | (1) ACD |
| Koc | 3.65 x 105 | pH 3;Mahana: 25 °C | (1) ACD |
| Koc | 3.72 x 105 | pH 4;Mahana: 25 °C | (1) ACD |
| Koc | 3.73 x 105 | pH 5;Mahana: 25 °C | (1) ACD |
| Koc | 3.72 x 105 | pH 6;Mahana: 25 °C | (1) ACD |
| Koc | 3.68 x 105 | pH 7;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Koc | 3.30 x 105 | pH 8;Mahana: 25 °C | (1) ACD |
| Koc | 1.62 x 105 | pH 9;Mahana: 25 °C | (1) ACD |
| Koc | 29600 | pH 10;Mahana: 25 °C | (1) ACD |
| logD | 7.22 | pH 1;Mahana: 25 °C | (1) ACD |
| logD | 7.63 | pH 2;Mahana: 25 °C | (1) ACD |
| logD | 7.70 | pH 3;Mahana: 25 °C | (1) ACD |
| logD | 7.71 | pH 4;Mahana: 25 °C | (1) ACD |
| logD | 7.71 | pH 5;Mahana: 25 °C | (1) ACD |
| logD | 7.71 | pH 6;Mahana: 25 °C | (1) ACD |
| logD | 7.70 | pH 7;Mahana: 25 °C | (1) ACD |
| logD | 7.66 | pH 8;Mahana: 25 °C | (1) ACD |
| logD | 7.35 | pH 9;Mahana: 25 °C | (1) ACD |
| logD | 6.61 | pH 10;Mahana: 25 °C | (1) ACD |
| logP | 7.710±0.709 | Mahana: 25 °C | (1) ACD |
| Hoʻoheheʻe i loko o ka nui | 2.7 x 10-5 g/L | Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 8.5 x 10-5 g/L | pH 1;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.3 x 10-5 g/L | pH 2;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 2.8 x 10-5 g/L | pH 3;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 2.7 x 10-5 g/L | pH 4;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 2.7 x 10-5 g/L | pH 5;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 2.7 x 10-5 g/L | pH 6;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 2.8 x 10-5 g/L | pH 7;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.1 x 10-5 g/L | pH 8;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 6.2 x 10-5 g/L | pH 9;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 3.5 x 10-4 g/L | pH 10;Mahana: 25 °C | (1) ACD |
| Ka hoʻoheheʻe nui | 2.8 x 10-5 g/L | Wai hoʻopaʻa ʻole pH 7.00;Mahana: 25 °C | (1) ACD |
| Molar Intrinsic Solubility | 3.5 x 10-8 mol/L | Mahana: 25 °C | (1) ACD |
| Molar Solubility | 1.1 x 10-7 mol/L | pH 1;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 4.3 x 10-8 mol/L | pH 2;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.6 x 10-8 mol/L | pH 3;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.5 x 10-8 mol/L | pH 4;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.5 x 10-8 mol/L | pH 5;Mahana: 25 °C | (1) ACD |
| Waiwai | Waiwai | Kūlana | Puna |
| Molar Solubility | 3.5 x 10-8 mol/L | pH 6;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.6 x 10-8 mol/L | pH 7;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 4.0 x 10-8 mol/L | pH 8;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 8.1 x 10-8 mol/L | pH 9;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 4.5 x 10-7 mol/L | pH 10;Mahana: 25 °C | (1) ACD |
| Molar Solubility | 3.6 x 10-8 mol/L | Wai hoʻopaʻa ʻole pH 7.00;Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 769.96 | ||
| pKa | 9.16±0.20 | ʻO ka Mahaʻawaʻawa loa: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | ʻO ka mahana kumu loa: 25 °C | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
ʻO ka mānoanoa
| Waiwai | Waiwai | Kūlana | Puna |
| ʻO ka mānoanoa | 1.25±0.1 g/cm3 | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
| Mola Volume | 615.5±7.0 knm3/mol | Ka mahana: 20 °C;Paʻi: 760 Torr | (1) ACD |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Waiwai | Waiwai | Kūlana | Puna |
| Nā Paʻa Hoʻololi Kūʻokoʻa | 14 | (1) ACD | |
| H Ka poe e ae | 13 | (1) ACD | |
| H Kokua | 3 | (1) ACD | |
| H Hāʻawi/Acceptor Sum | 16 | (1) ACD | |
| logP | 7.710±0.709 | Mahana: 25 °C | (1) ACD |
| Kaumaha Molekala | 769.96 |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Hoʻonohonoho pili
| Waiwai | Waiwai | Kūlana | Puna |
| Wahi Polar | 155 A2 | (1) ACD | |
(1) Ua helu ʻia me ka hoʻohana ʻana i ka Polokalamu Hoʻomohala Kemika Kiʻekiʻe (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Loaʻa ka Spectra
1H NMR
13C NMR
![C50H60N5O10P Cytidine, N-benzoyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O- (2-methoxyethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C50H60N5O10P-Cytidine-300x300.png)
![C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine-300x300.jpg)
![C44H49N5O7Si Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)