![C41h41n5o8 adenosine, n-benzoyl-5'-o- [bis (IV-methoxyphen) phenylmethyl] -2'- o- (II-methoxyethyl) - (9ci, aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H41N5O8 Adenosine, N-Benzoyl-5'-O- [bis (IV-methoxyphen) Phenylmethyl] -2'- o- (II-methoxyethyl) - (9CI, ACI) Featured Image](https://cdn.globalso.com/nvchem/C41H41N5O8-Adenosine.jpg)
C41h41n5o8 adenosine, n-benzoyl-5'-o- [bis (IV-methoxyphen) phenylmethyl] -2'- o- (II-methoxyethyl) - (9ci, aci)
| Key physica proprietatibus | Valor | Conditio |
| Pondus | 731,79 | - |
| Melting Point (experimentalem) | 119-121 ° C | - |
| Density (praedicta) | 1.31 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr |
| Pka (praedicta) | 7.87 ± 0.43 | Most Acidic Temp: XXV ° C |
Canonical SMILES 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)C3OCCOC)C=7C=CC=CC7
Isomeric smiles
C(OC[C@H]1O[C@H]([C@H](OCCOC)[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 = C7 = C7
INCHI
InChI=1S/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34)46)45-39(48)27-10-6-4-7-11-27)24-53- XLI (28-12-8-5-9-13-28,29-14-18-31 (50-2) 19-15-29) 30-16-20-32 (51-3) 21-17-30 / H4-21,25-26,3,35-36,40,47h, 22-24.1-3H3, (H, 42,43,45,48) / T33-, 35-, 36-, 40- / M1 / S1
Key Inchi
Kevmxgndtkpsmc, mumpvmasa, n
XVI aliis nominibus pro hac substantia
N-Benzoyl-5'-o- [bis (IV-metoxyphen) phenylmethyl] -2' -2', o- (II-metthoxyethyl) adenosine (aci); XVII: PN: US20030211606 Page: XIX petita sequence; XVIII: PN: US20040005569 Page: XXII petita sequence; XX: PN: US20040006030 Page: XXIII petita sequence; XX: PN: US20040014047 Page: XXI petita sequence; XX: PN: US20040014049 Page: XXI petita sequence; XXI: PN: US20040005570 Pag
E: XX petita sequence; XXI: PN: US20040014048 Page: XXI petita sequence; XXI: PN: US20040014050 Page: XX petita sequence; XXII: PN: US20040005565 Page: 17- XXII petita sequence; XXII: PN: US20040014051 Page: XXIII petita sequence; XXIII: PN: US20040 (XIV) DCXCIX Page: XX petita sequence; XXIV: PN: US20040006029 Page: XXIII petita sequence; XXIV: PN: Wo03106645 Page: LXXIII petita sequence; 5'-DimethoxyyTrityl, 2'-o- (II-methoxyethyl) -n6, benzoyl adenosine; XCV: PN: US20040005707 Page: XX petita sequence
| Proprietatibus praesto |
| Scelerum |
Scelerum
| Res | Valor | Conditio | Fons |
| Point liquescens | 119-121 ° C | (I) CAS | |
(I) Penjarla, Srishylam; Nucleosides, nucleeol acida nucleotides & (MMXVIII), XXXVII (IV), 232-247, Caplus
Spectra praesto
1h NMR
13c NMR
| Proprietatibus praesto |
| Biological |
| Proiectus |
| Densitas |
| Lipinski |
| Structuram related |
Biological
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | (XXXI) DCC | PH I; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.08 x CV | PH II; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.43 x CV | PH III; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.48 x CV | PH IV; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.48 x CV | PH V; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.45 x CV | Ph VI; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | 1.19 x CV | PH VII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | (XLIII) | PH VIII; Temp: XXV ° C | (I) ACD |
| Bioconcentration factor | (VII) L | PH IX; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Bioconcentration factor | MMLX | PH X; Temp: XXV ° C | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Proiectus
| Res | Valor | Conditio | Fons |
| Koc | (XXXVII) CD | PH I; Temp: XXV ° C | (I) ACD |
| Koc | 1.28 x CV | PH II; Temp: XXV ° C | (I) ACD |
| Koc | 1.69 x CV | PH III; Temp: XXV ° C | (I) ACD |
| Koc | 1.74 x CV | PH IV; Temp: XXV ° C | (I) ACD |
| Koc | 1.74 x CV | PH V; Temp: XXV ° C | (I) ACD |
| Koc | 1.71 x CV | Ph VI; Temp: XXV ° C | (I) ACD |
| Koc | 1.40 x CV | PH VII; Temp: XXV ° C | (I) ACD |
| Koc | (L) DCC | PH VIII; Temp: XXV ° C | (I) ACD |
| Koc | (VIII) CCCXX | PH IX; Temp: XXV ° C | (I) ACD |
| Koc | MMCDXXX | PH X; Temp: XXV ° C | (I) ACD |
| logd | 6,44 | PH I; Temp: XXV ° C | (I) ACD |
| logd | 6,97 | PH II; Temp: XXV ° C | (I) ACD |
| logd | 7.09 | PH III; Temp: XXV ° C | (I) ACD |
| logd | 7.11 | PH IV; Temp: XXV ° C | (I) ACD |
| logd | 7.11 | PH V; Temp: XXV ° C | (I) ACD |
| logd | 7.10 | Ph VI; Temp: XXV ° C | (I) ACD |
| logd | 7.01 | PH VII; Temp: XXV ° C | (I) ACD |
| logd | 6.57 | PH VIII; Temp: XXV ° C | (I) ACD |
| logd | 5.78 | PH IX; Temp: XXV ° C | (I) ACD |
| logd | 5,25 | PH X; Temp: XXV ° C | (I) ACD |
| logp | 7,109 ± 0.766 | Temp: XXV ° C | (I) ACD |
| Missam intrinsecam solubility | 5.6 x 10-6 g / l | Temp: XXV ° C | (I) ACD |
| Missam solubility | 2.6 x 10-5 g / l | PH I; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-6 10-6 G / l | PH II; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.8 x 10-6 g / l | PH III; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.6 x 10-6 g / l | PH IV; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.6 x 10-6 g / l | PH V; Temp: XXV ° C | (I) ACD |
| Missam solubility | 5.7 x 10-6 g / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-6 10-6 g / l | PH VII; Temp: XXV ° C | (I) ACD |
| Res | Valor | Conditio | Fons |
| Missam solubility | 10-5 X 10-5 g / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Missam solubility | X 10-4 G / l | PH IX; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-4 X 10-4 g / l | PH X; Temp: XXV ° C | (I) ACD |
| Missam solubility | 10-6 10-6 g / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
| Molaris intrinsecam solubility | 7.6 x 10-9 Mol / l | Temp: XXV ° C | (I) ACD |
| Molaris solubility | 3,6 x 10-8 Mol / l | PH I; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.0 X 10-8 Mol / l | PH II; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 7.9 x 10-9 Mol / l | PH III; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 7.7 x 10-9 Mol / l | PH IV; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 7.7 x 10-9 Mol / l | PH V; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 7.8 x 10-9 Mol / l | Ph VI; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 9.6 x 10-9 Mol / l | PH VII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 2.6 X 10-8 Mol / l | PH VIII; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 1.6 x 10-7 Mol / l | PH IX; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 5.5 x 10-7 Mol / l | PH X; Temp: XXV ° C | (I) ACD |
| Molaris solubility | 9.5 x 10-9 Mol / l | Unbuffered aqua PH 7.00; Temp: XXV ° C | (I) ACD |
| Pondus | 731,79 | ||
| PKA | 7.87 ± 0.43 | Most Acidic Temp: XXV ° C | (I) ACD |
| PKA | 1.39 ± 0.10 | Maxime basic temp: XXV ° | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Densitas
| Res | Valor | Conditio | Fons |
| Densitas | 1.31 ± 0.1 G / CM3 | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
| Molaris volumine | 556,9 ± 7.0 CM3 / mol | Temp: XX ° C; Press: DCCLX Torr | (I) ACD |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Res | Valor | Conditio | Fons |
| Sponte Rotatable vincula | 15 | (I) ACD | |
| H acceptors | 13 | (I) ACD | |
| H donos | 2 | (I) ACD | |
| H donator / Acceptor Sum | 15 | (I) ACD | |
| Res | Valor | Conditio | Fons |
| logp | 7,109 ± 0.766 | Temp: XXV ° C | (I) ACD |
| Pondus | 731,79 |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Structuram related
| Res | Valor | Conditio | Fons |
| Polar superficies regio | CXLVIII A2 | (I) ACD | |
(I) Calculus in ratione progressionem progressionem (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)
Spectra praesto
1h NMR
13c NMR
![C41H39NO6 I-Pyrrolidinecarboxylic Acidum, II - [[bis (IV-methoxyphen) Phenylm IV Ethoxy] Methylen, -4-Hydroxy-, (2s, 4R) - (IX CI, ACI)](https://cdn.globalso.com/nvchem/C41H39NO6-1-Pyrrolidinecarboxylic-acid-300x300.jpg)
![C10H12N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrah ydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3 R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C10H12N2O5-6H-Furo-300x300.jpg)
![C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C43H55N4O10P-Uridine-300x300.png)
![C21H23N3O5 L-Ornithine, N5- (Aminocarbonyl) -n2 - [(9h-fluoren-IX-ylmethoxy) carbonyl] - (9ci, aci)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)
![C41H49FN5O8P Cytidine, N-acetyl-5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ – deoxy-2′ -fluoro-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphor amidite] (ACI)](https://cdn.globalso.com/nvchem/C41H49FN5O8P-Cytidine-300x300.png)