C11H15N5O4 Adenosine, 2 '-O-Methyl- (7CI, 8CI, 9CI, Aci)
Numero sa Registry sa Cas
2140-79-6
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 281.27 | - |
| Pagtunaw sa punto (eksperimento) | 204-206 ° C | - |
| Boiling Point (Gitagna) | 623.8 ± 65.0 ° C | Press: 760 Torr |
| Densidad (gitagna) | 1.84 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 13.13 ± 0.70 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile
Occ1oc (N2C = NC = 3C (= NC = NC32) N) C (OC) C1O
Isomeric smile
O (c) [c @ h] 1 [c @ h] (n2c = 3c (n = n) (c (n) (c (n)
Inchi
Inchi = 1s / C11H15N5O4 / C1-19-8-7 (18-17) 20-17) , 8-, 11- / M1 / S1
Yawe sa inchi
Fpugcisolxnpcc-ioslpcccsa-n
2 ubang mga ngalan alang sa kini nga sangkap
2 '-O-Methyladenosine (ACI); Cordysinin B
Mga kabtangan nga magamit
Sa teserminal
| Kabtangan | Bili | Gigikanan sa kondisyon |
| TELTING POINT | 204-206 ° C | (1) cas |
(1) Martinez-Montero, Saul; European Journal of Organic Chemistry, (2009) (19), 3265-3271, S3265 / 1-S3265 / CAPLUS
Magamit ang Spectra
1 h nmr
13 C NMR
IR
Misa
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 | 1.78 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.97 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.99 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.99 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.99 | Ph 9; Tats: 25 ° C | (1) ACD |
| Tinubdan sa Kondisyon sa Kondisyon sa Property |
| Factor sa Bioconcentration 1.99 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 | 4.54 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 26.0 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 51.0 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 56.4 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 57.0 | Ph 7; Tats: 25 ° C | (1) ACD |
| Lang | 57.1 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 57.1 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 57.0 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | -1.70 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | -1.25 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | -0.40 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 0.36 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 0.65 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 0.69 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 0.70 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 0.70 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 0.70 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 0.70 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 0.697 ± 0.596 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 3.7 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 886 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 309 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 45 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 7.9 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.9 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.7 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.7 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Mass Solubility | 3.7 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.7 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.7 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.7 g / l | Wala'y tubig nga Ph 8.07; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 0.013 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.15 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.10 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.16 Mol / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.028 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 0.014 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| 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 8.07; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 281.27 | ||
| pka | 13.13 ± 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 | 2.02 x 10-16 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 | 1.84 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 152.5 ± 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 | Gigikanan sa kondisyon |
| Gawasnon nga rotatable nga bugkos | 5 | (1) ACD |
| H Pagdawat | 9 | (1) ACD |
| H donor | 4 | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| H Donor / Pagdawat Sum | 13 | (1) ACD | |
| logP | 0.697 ± 0.596 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 281.27 |
(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 | 129 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 | 623.8 ± 65.0 ° C | Press: 760 Torr | (1) ACD |
| ANTHALPY SA VAPORIZATION | 97.11 ± 3.0 KJ / MOL | Press: 760 Torr | (1) ACD |
| Point Point | 331.0 ± ± 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
1 h nmr
13 C NMR
| Kodigo | Pahayag sa peligro | Tinubdan |
| H303 | Mahimong makadaot kung gilamoy | Eksperto nga Castated |
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