![C48H54N7o8p Adenosine, N-Benzoyl-5 '-O- [Bis (4-metoxyphenyl) Phenylmethyl] -2' - O-Methyl-, 3 '- [2-MetyaThyl) fosfite] (ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C48h54n7o8p adenosine, n-benzoyl-5 '-O- [BIS (4-metoxyphyl) phenylmethyl] -2' - O-methyl-, 3 '- [2-methylethyl) fosfite] (ACI)](https://cdn.globalso.com/nvchem/C48H54N7O8P.png)
C48H54N7o8p Adenosine, N-Benzoyl-5 '-O- [Bis (4-metoxyphenyl) Phenylmethyl] -2' - O-Methyl-, 3 '- [2-MetyaThyl) fosfite] (ACI)
Hejmara Registry
110782-31-5
H335, H331, H319, H315, H311, H301 + H311 + H331, H301
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 887.96 | - |
| PKA (texmîn kirin) | 7.87 ± 0.43 | Temana herî acid: 25 ° C |
Hespên Canonîkî
N # CCHOP (OC1C (OC (N2C = NC = 3C (= o) C = 4c = cc = cc5) (c6 = 5C = C (OC) C7 = C7) (c (c) c) c (c) c)
Isomeric bişirîn
C (OC [C @@ H] 1 [C @@ h] (OP (C (c) c) (c) c) (· c2) [c @@) [c5) C (OC) C = C5) (c6 = cc = c (OC) C = C6) C7 = CC = CC = C7
Inchi
Inchi = 1s / c48h54n7o8p / c1-32 (33 (3) 4) 64 (61-28-14-40 (62-47 (42) 59-44 (50-30-51-41 (41) 54) 53-46 (5 6) 34-15-10-8-60-48 (35-18-35,36-19-18-35,36-19-13-38 (57-5) 24-20-36) 37-21-25-39 (58-6) 26-22-37 / H8-13,15-26,30-33,40,4 2-43,47h, 14,28-29h2,1-7h3, (H, 50,51,53,56) / T40-, 43-, 47-, 64? / M1 / S1
Keyeya Inchi
AZcGotUYEpxHmj-Psvhyzmasa-N
2 navên din ên ji bo vê madeyê
Adenosine,N-benzoyl-5 '-O- [BIS (4-Methoxyphenyl) Phenylmethyl] -2 '-O-methyl-, 3 - [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9ci); 5 -O- (4,4 '-Dimethoxytrityl) -n6-benzoyl-2' -O-methydayososine 3 - (2-cyanoethylN,N-Isiisopropylphosphoramidite)
Spectra peyda dibe
13 C NMR
Hetero nmr
Gel
Taybetmendiyên berdest
Bedirî
Şîmyakî
Lipinski
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 4050 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.08 x 105 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.10 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 60800 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Rewş | Kanî |
| Koc | 1830 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 48700 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 4.91 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 1.52 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 1.90 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 1.91 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 1.57 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 5.78 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 95000 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 27500 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 6.01 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 7.43 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 8.44 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 8.93 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 9.02 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 9.02 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 8.94 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 8.51 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 7.72 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 7.18 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 9.038 ± 0.723 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 1.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.014 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.3 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.3 x 10-5 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 X 10-5 G / L | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 X 10-5 G / L | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-5 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.5 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.8 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 9.8 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-5 g / l | Avêtina avê ya unbuffered 6.99; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 1.6 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.6 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.0 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.0 x 10-8 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.9 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.5 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility molar | 1.5 x 10-8 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.9 x 10-8 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.1 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 3.1 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.9 x 10-8 mol / l | Avêtina avê ya unbuffered 6.99; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 887.96 | ||
| pka | 7.87 ± 0.43 | Temana herî acid: 25 ° C | (1) ACD |
| pka | 3.45 ± 0.70 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 19 | (1) ACD | |
| H qebûlkar | 15 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qedexe | 16 | (1) ACD | |
| logp | 9.038 ± 0.723 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 887.96 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Çavkaniya şertê |
| Qada pola polar | 178 A2 | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1 H NMR
13 C NMR
| Navê dizî | Daxuyaniya Hazard | Kanî |
| H335 | Dibe ku bibe sedema acizbûna respirasyonê | Pispor curated |
| Navê dizî | Daxuyaniya Hazard | Kanî |
| H331 | TOXIC eger bêxeber kirin | Pispor curated |
| H319 | Dibe sedema acizkirina çavê ciddî | Pispor curated |
| H315 | Dibe sedema acizkirina çerm | Pispor curated |
| H311 | Têkiliya bi çerm | Pispor curated |
| H301 + H311 + H331 | TOXIC EF SWALLED, di têkiliyê de bi çerm an şuştin | Pispor curated |
| H301 | TOXIC IF SWALLED | Pispor curated |
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