C13H19NO5O5 Adenosine, 2 '-(2-methoxyethyl) - (9CI, ACI)
Numero sa Registry sa Cas
168427-74-5
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 325.32 | - |
| Boiling Point (Gitagna) | 639.0 ± 65.0 ° C | Press: 760 Torr |
| Densidad (gitagna) | 1.70 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 13.12 ± 0.70 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile
Occ1oc (N2C = NC = 3C (= NC = NC32) N) C (OCCOC) C1O
Isomeric smile
O (CCOC) [C @ H] 1 [C @@ H] (O [C @ H] [CO) [C @ H]) N2C = 3C (N) N = CN)
Inchi
Inchi = 1s / C13H19NO5 / C1-21-3-22-10-9 (20-19) 23-13) 18-13) 18-13-11 (H2,14,15,16) / T7-, 9-, 10-, 13- / M1 / S1
Yawe sa inchi
Pudxujrlrljiu-qyvstxnmsa-n
1 Uban pang ngalan alang sa kini nga sangkap
2 '-O- (2-methoxyethyl) adenosine (Aci)
Magamit ang Spectra
1 h nmr
13 C NMR
Mga kabtangan nga magamit
Biyikolohiya
Kimikal
Density
Lipinski
May kalabutan sa istruktura
Sa teserminal
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 1.0 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.0 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.18 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.31 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.32 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.32 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.32 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.32 | Ph 10; Tats: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 1.0 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 1.0 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 3.39 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 19.4 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 38.0 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 42.0 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 42.5 | Ph 7; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 42.5 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 42.5 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 42.5 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | -1.94 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | -1.48 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | -0.64 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 0.12 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 0.41 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 0.46 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 0.46 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 0.46 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 0.46 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 0.46 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 0.462 ± 0.647 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 4.2 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 999 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 381 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 55 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 9.4 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.9 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.2 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.2 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.2 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.2 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.2 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.2 g / l | Wala'y tubig nga Ph 8.08; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 0.013 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.07 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.17 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.17 Mol / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.029 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.015 Mol / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 0.013 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.013 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.013 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.013 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.013 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.013 MOL / L | Wala'y tubig nga Ph 8.08; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 325.32 | ||
| pka | 13.12 ± 0.70 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | 3.82 ± 0.10 | Kadaghanan sa sukaranan nga temps: 25 ° C | (1) ACD |
| Purni sa Vapor | 3.35 x 10-17 Torr | Tats: 25 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Density | 1.70 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 191.2 ± 7.0 cm3 / Mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Gawasnon nga rotatable nga bugkos | 8 | (1) ACD | |
| H Pagdawat | 10 | (1) ACD | |
| H donor | 4 | (1) ACD | |
| H Donor / Pagdawat Sum | 14 | (1) ACD | |
| logP | 0.462 ± 0.647 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 325.32 |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
| Kabtangan | Bili | Gigikanan sa kondisyon |
| Dapit sa Polar sa Polar | 138 A2 | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Point Point | 639.0 ± 65.0 ° C | Press: 760 Torr | (1) ACD |
| ANTHALPY SA VAPORIZATION | 99.17 ± 7 KJ / MOL | Press: 760 Torr | (1) ACD |
| Point Point | 340.2 ± ± 34.3 ° C | (1) ACD |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Magamit ang Spectra
1h nmr
13C NMR
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