C31H30N2O7 6H-fURO [2 ', 3' (2r, 3r, 3As, 9RA 9R) - (9ci, Aci)
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 542.58 | - |
| Boiling Point (Gitagna) | 692.9 ± 65.0 ° C | Press: 760 Torr |
| Densidad (gitagna) | 1.33 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 12.51 ± 0.60 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smiles O = C1N = C2OC3C (O) C (OC3N2C = CC3C) COC (C = CC = C (OC) C = C.
Isomeric smile c (oc [c @ h] 1o [c @@ w) (cc) c = c (cc) c6) c6) c6) c6) c6) (cc) c = c (cc = cc
Inchi
Inchi = 1s / C31H30N2O7 / C1-19-18-33-33-29-29-27 (40-30 (39) 35) 18-38-6-6-6-6-6-6-6-6-13-23 (36-201
) 22-11-15-24 (37-3) 16-12-22 / H4-17,25-27,29,345h, 18-1-, 27- / 69
Yawe sa inchi
Bqeqceznliksh-cithkvlsssa-n
1 Uban pang ngalan alang sa kini nga sangkap
.
Magamit ang Spectra
1h nmr
13C NMR
Misa
| Mga kabtangan nga magamit |
| Biyikolohiya |
| Kimikal |
| Density |
| Lipinski |
| May kalabutan sa istruktura |
| Sa teserminal |
Biyikolohiya
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 2800 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2800 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2800 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2800 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2800 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2800 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2800 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2800 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2800 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2790 | 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
Kimikal
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 10200 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 10200 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 10200 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 10200 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 10200 | Ph 5; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 10200 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 10200 | Ph 7; Tats: 25 ° C | (1) ACD |
| Lang | 10200 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 10200 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 10200 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | 4.84 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | 4.84 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | 4.84 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 4.84 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 4.84 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 4.84 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 4.84 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 4.84 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 4.84 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 4.84 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 4.839 ± 0.618 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 3.6 x 10-4 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.6 x 10-4 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 6.6 x 10-7 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 6.6 x 10-7 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.7 x 10-7 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.6 x 10-7 MOL / L | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 542.58 | ||
| pka | 12.51 ± 0.60 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | -4.38 ± 0.60 | Kadaghanan sa sukaranan nga temps: 25 ° C | (1) ACD |
| Purni sa Vapor | 3.73 x 10-20 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
Density
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Density | 1.33 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 404.9 ± 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
Lipinski
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Gawasnon nga rotatable nga bugkos | 9 | (1) ACD | |
| H Pagdawat | 9 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor / Pagdawat Sum | 10 | (1) ACD | |
| logP | 4.839 ± 0.618 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 542.58 |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
May kalabutan sa istruktura
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Dapit sa Polar sa Polar | 99.1 A2 | (1) ACD | |
(1) gikalkulo gamit ang advanced nga pag-uswag sa chemistry (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs) ACD
Sa teserminal
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Point Point | 692.9 ± 65.0 ° C | Press: 760 Torr | (1) ACD |
| ANTHALPY SA VAPORIZATION | 106.61 ± 3.0 KJ / MOL | Press: 760 Torr | (1) ACD |
| Point Point | 372.8 ± ± 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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![C34H39N3O8 CYTIDINE, 5'-ONY (4-methoxypylentl) Phenylmethyl] -2'-(2-(2-(2-(2-methyl, Aci)](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine-300x300.jpg)
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