![C33H35N3O8 CYTIDINE, N-ACETYL-5'-ON- [BIS (4-methoxypylyl) Phenylmethyl] -2'-methyl- (9ci, Aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 CYTIDINE, N-ACETYL-5'-ON- [BIS (4-methoxypylyl) Phenylmethyl] -2'-methyl- (9ci, Aci) nga gipakita nga imahe](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 CYTIDINE, N-ACETYL-5'-ON- [BIS (4-methoxypylyl) Phenylmethyl] -2'-methyl- (9ci, Aci)
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 601.65 | - |
| Densidad (gitagna) | 1.28 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (gitagna) | 10.19 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile O = C1N = C (C = CN1C2OC (CC = CC) C = C. O) C
Isomeric Smile C (OC [C @ H] 1O [C @ H] (CC) C = C. CC = CC = CC = CC = CC = CC) C5
Inchi
Inchi = 1s / C33H35N3O8 / C1-21 (37) 34 )-3-36 (39) 2-40) 2-43) 15-11-23) 24-12-16-26.
Yawe sa inchi
Finushojatnelq-Pmfuctessa-n
1 Uban pang ngalan alang sa kini nga sangkap
N-Actyl-5'-O- [BIS (4-methoxypypyl) Phenylmethyl] -2'-methylcytidine (Aci)
| Mga kabtangan nga magamit |
| Biyikolohiya |
| Kimikal |
| Density |
| Lipinski |
| May kalabutan sa istruktura |
Biyikolohiya
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 8.87 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 27.8 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 171 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 515 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 650 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 668 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 668 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 657 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 560 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 229 | 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 | 48.6 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 152 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 935 | Ph 3; Tats: 25 ° C | (1) ACD |
| Lang | 2820 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 3560 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 3660 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 3660 | Ph 7; Tats: 25 ° C | (1) ACD |
| Lang | 3600 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 3070 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 1250 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | 2.14 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | 2.64 | Ph 2; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| troso | 3.43 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 3.91 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 4.01 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 4.02 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 4.02 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 4.01 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 3.94 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 3.55 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 4.021 ± 0.768 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.3 x 10-3 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.10 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.032 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.2 x 10-3 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.7 x 10-3 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.4 x 10-3 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-3 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-3 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-3 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.6 x 10-3 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.9 x 10-3 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.3 x 10-3 g / l | Wala'y pulos nga tubig Ph 6.99; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 2.2 x 10-6 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 5.3 x 10-5 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 8.6 x 10-6 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.9 x 10-6 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-6 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.2 x 10-6 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.2 x 10-6 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.2 x 10-6 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.6 x 10-6 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.4 x 10-6 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 2.2 x 10-6 MOL / L | Wala'y pulos nga tubig Ph 6.99; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 601.65 | ||
| pka | 10.19 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | 3.57 ± 0.20 | Kadaghanan sa sukaranan nga temps: 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 | 1.28 ± 0.1 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molar nga gidaghanon | 466.5 ± 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
Lipinski
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Gawasnon nga rotatable nga bugkos | 11 | (1) ACD | |
| H Pagdawat | 11 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor / Pagdawat Sum | 13 | (1) ACD | |
| logP | 4.021 ± 0.768 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 601.65 |
(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 | 128 A2 | (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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