![C42H52NO9P CYTIDINE, N-ACETYL-5 '-O- [4-methoxyletyl) Phenylmethyl] -2 - [2-BISTYOHYLYL NO PHISPHOLEDYDE]](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C42H52NO9P CYTIDINE, N-ACETYL-5 '-O- [4-methoxyletyl) Phenylmethyl] -2 - [2-bis (1-bis (1-bis (1-bis (Aci)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine.png)
C42H52NO9P CYTIDINE, N-ACETYL-5 '-O- [4-methoxyletyl) Phenylmethyl] -2 - [2-BISTYOHYLYL NO PHISPHOLEDYDE]
Numero sa Registry sa Cas
199593-09-4
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 801.87 | - |
| PKA (gitagna) | 10.18 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile
N # CCCOP (OC1C (OC (N2C = CC (NC2 = CCP) C = C (C) C) C (C) C) C
Isomeric smile
C (OC [c @@ h] 1 [c @@ h] (op (c (c) (c) (cc) c = c (cc) c = c (cc) c = c. = C (oc) c = c4) C5 = CC = CC = C5
Inchi
Inchi = 1s / C42H52NO9P / C1-28 (2) 47 (39-38-36 (39) (49-40) 48) 278) 278) -42 (31-13-10-9-14-9-14-9-14-3-14-19-34 H, 44,45,48,49) / T36-, 38-, 39-, 40-, 57? / M1 / S1
Yawe sa inchi
Wnwumipfloktez-uaqipllssa-n
1 Uban pang ngalan alang sa kini nga sangkap
Cytidine,N-acetyl-5 '-O- [BIS (4-methoxypypyl) Phenylmethyl] -2 '-O-Methyl-, 3 '- [2-cyanoethyl Bis (1-metylethythyl) Phosphoramidite] (9CI)
Mga kabtangan nga magamit
Biyikolohiya
Kimikal
Lipinski
May kalabutan sa istruktura
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 4.77 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 50.1 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 2190 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 21700 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 35700 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 37800 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 37900 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 37300 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 31400 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 12300 | 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
| Tinubdan sa Kondisyon sa Kondisyon sa Property |
| KOC 8.29 Ph 1; Tats: 25 ° C (1) ACD |
| 87.1 Ph 2; Tats: 25 ° C (1) ACD |
| 3800 Ph 3; Tats: 25 ° C (1) ACD |
| KOC 37700 PH 4; Tats: 25 ° C (1) ACD |
| 62000 PH 5; Tats: 25 ° C (1) ACD |
| 65700 Ph 6; Tats: 25 ° C (1) ACD |
| 65900 PH 7; Tats: 25 ° C (1) ACD |
| 64700 PH 8; Tats: 25 ° C (1) ACD |
| 54500 Ph 9; Tats: 25 ° C (1) ACD |
| 21400 Ph 10; Tats: 25 ° C (1) ACD |
| LOGD 2.43 PH 1; Tats: 25 ° C (1) ACD |
| LOGD 3.45 PH 2; Tats: 25 ° C (1) ACD |
| LOGD 5.09 PH 3; Tats: 25 ° C (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| troso | 6.09 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 6.30 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 6.33 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 6.33 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 6.32 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 6.25 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 5.84 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 6.329 ± 0.771 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.8 x 10-4 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.4 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.14 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.1 x 10-3 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.2 x 10-4 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.9 x 10-4 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.8 x 10-4 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.8 x 10-4 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.8 x 10-4 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.2 x 10-4 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 5.6 x 10-4 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.8 x 10-4 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 2.3 x 10-7 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.8 x 10-3 Mol / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.7 x 10-4 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.9 x 10-6 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 4.0 x 10-7 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.4 x 10-7 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-7 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-7 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-7 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.8 x 10-7 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 7.0 x 10-7 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.3 x 10-7 MOL / L | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Gibug-aton sa molekula | 801.87 | ||
| pka | 10.18 ± 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
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Gawasnon nga rotatable nga bugkos | 18 | (1) ACD | |
| H Pagdawat | 14 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor / Pagdawat Sum | 15 | (1) ACD | |
| logP | 6.329 ± 0.771 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 801.87 |
(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 | 167 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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