![C39H37N5O7 Adenozîn, N-benzoîl-5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'- O-metîl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)fenylmethyl]-2′- O-methyl- (9CI, ACI) Wêne ya Taybet](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 Adenozîn, N-benzoîl-5'-O-[bis(4-metoksîfenîl)fenîlmethyl]-2'- O-metîl- (9CI, ACI)
| Taybetmendiyên fizîkî yên sereke | Giranî | Rewş |
| Giraniya molekulî | 687,74 | - |
| Density (Pêşbîn kirin) | 1,32±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr |
| pKa (Pêşbînî kirin) | 7,87±0,43 | Germahiya herî asîdî: 25 °C |
PÊŞÎNÊN kanonîkî O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6 )C(O)C3OC)C=7C=CC=CC7
SMILES Îzomerî
C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C=3C(N=C2)=C(NC(=O)C4=CC =CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6) C7=CC=CC=C7
InChI
InChI=1S/C39H37N5O7/c1-47-29-18-14-27(15-19-29)39(26-12-8-5-9 -13-26,28-16-20-30(48-2)21-17-28)50-22-31-33(45)34(49-3)38(51- 31)44-24-42-32-35(40-23-41-36(32)44)43-37(46)25-10-6-4-7-11-25/ h4-21,23-24,31,33-34,38,45H,22H2,1-3H3,(H,40,41,43,46)/t31-,33-,
34-,38-/m1/s1
InChI Key
SARHDAQOZNKZCC-CJEGOSRCSA-N
1 Navê din ji bo vê madeyê
N-Benzoyl-5'-O-[bis(4-metoksîfenîl)fenîlmetîl]-2'-O-metîladenozîn (ACI)
Spectra heye
1H NMR
13C NMR
Gel
Taybetmendiyên berdest
Biyolojîkî
Şîmyakî
Density
Lipinski
Structure Related
Biyolojîkî
| Mal | Giranî | Rewş | Kanî |
| Faktora Bioconcentration | 47800 | pH 1; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,63 x 105 | pH 2; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2,16 x 105 | pH 3; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2,23 x 105 | pH 4; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2,23 x 105 | pH 5; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 2,18 x 105 | pH 6; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 1,79 x 105 | pH 7; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 64900 | pH 8; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 10600 | pH 9; Germ: 25 °C | (1) ACD |
| Faktora Bioconcentration | 3110 | pH 10; Germ: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 50200 | pH 1; Germ: 25 °C | (1) ACD |
| Koc | 1,71 x 105 | pH 2; Germ: 25 °C | (1) ACD |
| Koc | 2,26 x 105 | pH 3; Germ: 25 °C | (1) ACD |
| Koc | 2,34 x 105 | pH 4; Germ: 25 °C | (1) ACD |
| Koc | 2,34 x 105 | pH 5; Germ: 25 °C | (1) ACD |
| Koc | 2,29 x 105 | pH 6; Germ: 25 °C | (1) ACD |
| Koc | 1,88 x 105 | pH 7; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 68000 | pH 8; Germ: 25 °C | (1) ACD |
| Koc | 11200 | pH 9; Germ: 25 °C | (1) ACD |
| Koc | 3260 | pH 10; Germ: 25 °C | (1) ACD |
| logD | 6.67 | pH 1; Germ: 25 °C | (1) ACD |
| logD | 7.21 | pH 2; Germ: 25 °C | (1) ACD |
| logD | 7.33 | pH 3; Germ: 25 °C | (1) ACD |
| logD | 7.34 | pH 4; Germ: 25 °C | (1) ACD |
| logD | 7.34 | pH 5; Germ: 25 °C | (1) ACD |
| logD | 7.33 | pH 6; Germ: 25 °C | (1) ACD |
| logD | 7.25 | pH 7; Germ: 25 °C | (1) ACD |
| logD | 6.80 | pH 8; Germ: 25 °C | (1) ACD |
| logD | 6.02 | pH 9; Germ: 25 °C | (1) ACD |
| logD | 5.49 | pH 10; Germ: 25 °C | (1) ACD |
| logP | 7,344±0,723 | Germ: 25 °C | (1) ACD |
| Mass Intrinsic Çareseriya | 2,7 x 10-6 g/L | Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,2 x 10-5 g/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,7 x 10-6 g/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,8 x 10-6 g/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,8 x 10-6 g/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,8 x 10-6 g/L | pH 5; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 2,8 x 10-6 g/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,4 x 10-6 g/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 9,6 x 10-6 g/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 5,7 x 10-5 g/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 1,9 x 10-4 g/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya girseyî | 3,4 x 10-6 g/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Çareseriya Xweseriya Molar | 3,9 x 10-9 mol/L | Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,8 x 10-8 mol/L | pH 1; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 5,4 x 10-9 mol/L | pH 2; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,1 x 10-9 mol/L | pH 3; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,0 x 10-9 mol/L | pH 4; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,0 x 10-9 mol/L | pH 5; Germ: 25 °C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Çareseriya Molar | 4,0 x 10-9 mol/L | pH 6; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,9 x 10-9 mol/L | pH 7; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 1,4 x 10-8 mol/L | pH 8; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 8,3 x 10-8 mol/L | pH 9; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 2,8 x 10-7 mol/L | pH 10; Germ: 25 °C | (1) ACD |
| Çareseriya Molar | 4,9 x 10-9 mol/L | pH ava nebuffered 7,00; Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 687,74 | ||
| pKa | 7,87±0,43 | Germahiya herî asîdî: 25 °C | (1) ACD |
| pKa | 1,39±0,10 | Germahiya herî bingehîn: 25 °C | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Density
| Mal | Giranî | Rewş | Kanî |
| Density | 1,32±0,1 g/cm3 | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
| Volume Molar | 518,5±7,0 cm3/mol | Germ: 20 °C; Çapemenî: 760 Torr | (1) ACD |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds Bi Azadî Rotable | 12 | (1) ACD | |
| H Qebûrker | 12 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qebûl Sum | 14 | (1) ACD | |
| logP | 7,344±0,723 | Germ: 25 °C | (1) ACD |
| Giraniya molekulî | 687,74 |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Structure Related
| Mal | Giranî | Rewş | Kanî |
| Qada Rûyê Polar | 139 A2 | (1) ACD | |
(1) Bi karanîna Nermalava Pêşveçûna Kîmyaya Pêşkeftî (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs) tê hesab kirin
Spectra heye
1H NMR
Spectra heye
13C NMR
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