C50h60n5o10p cytidine, n-benzoyl-5 '-o- [4-methoxyethyl) Photyletyl) - 3-bis (1-bis (1-bis (1-bis (Aci)
Numero sa Registry sa Cas
163759-94-2
| KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
| Gibug-aton sa molekula | 922.01 | - |
| PKA (gitagna) | 8.59 ± 0.40 | Kadaghanan sa acidic temps: 25 ° C |
Canonical Smile
N # CCCOP (OC1C (OC (N2C = C (C (= NCA) C = C (C) C) C (C) C) C
Isomeric smile
C (OC [c @@ h] 1 [c @@ h] (O (c (c) (cc = c) (cc) c (cc) (cc) c (cc) (cc) (cc) (cc) (c2) (cc) = C (OC) C = C4) (C5 = CC = C (OC) C = C5) C6
Inchi
Inchi = 1S / C50H60N5O10P / C1-34 (2) 55 (33-29-19-51-14-19-38-38-38-38-38-38-38-38-38-38-38-38-38-38 ) 40-22-26-42 (60-8) 27-23-40) 64-48 (45 (44) 61-31-9-9-16-9-9-17-9-16-37 35,43-45,480, 15,29-31,33h2,1-8,53,56,57- 45-, 46- 66?
Yawe sa inchi
Fligvmliidvdsn-gicdfoiana-n
26 Uban pang mga Ngalan alang sa kini nga sangkap
Cytidine,N-benzoyl-5 '-O- [BIS (4-methoxypypyl) Phenylmethyl] -2 '-O- (2-methoxyethyl) - 5-methyl-, 3 '- [2-cyanoethyl Bis (1-metytythyl) Phosphoramidite] (9CI); 12: PN: INYO03084478 Pahina: 57 nag-angkon nga DNA; 14: PN: US20030170636 Pahina: 17 nag-angkon nga DNA; 15: PN: U
S20030211606 Pahina: 19 nag-angkon nga DNA; 15: PN: US20030212017 Pahina: 19 nag-angkon nga DNA; 16: PN: US2004000569 Pahina: 22 nag-angkon nga DNA; 17: PN: US20040006030 Pahina: 23 nag-angkon nga DNA; 17: PN: US20040014049 Pahina: 20 nag-angkon nga DNA; 18: PN: US20040014047 Pag: 20 Giangkon ang DNA; 18: PN: US20040014048 Pahina: 20 Giangkon ang DNA; 18: PN: US20040014050 Panid: 20 Giangkon ang DNA; 19: PN: U
S20030171313 Pahina: 9 nag-angkon nga DNA; 19: PN: US20030198965 Panid: 20 Giangkon ang DNA; 19: PN: US20040005565 Pahina: 17- 22 nag-angkon nga DNA; 19: PN: US20040005570 Pahina: 20 nag-angkon nga DNA; 19: PN: US20040014051 Pahina: 22 nag-angkon nga DNA; 20: PN: US20040014699 Pag
E: 20 nag-angkon nga DNA; 21: PN: US20040006029 Pahina: 23 nag-angkon nga DNA; 21: PN: PENSED SA WO03106645: 72 nag-angkon nga DNA; 61: PN: US20030
166592 Pahina: 15 nag-angkon nga DNA; 7: PN: Pahina sa IT: WO2005006958: 62 nag-angkon nga DNA; 84: PN: US20040171566 Pahina: 18 nag-angkon nga DNA; 92:
PN: US20040005707 Panid: 20 Giangkon ang DNA; 9: PN: Pahina sa IT: Wo2005007825 Pahina: 62 nag-angkon nga DNA;N4-benzoyl-2 '-O-Methoxyethyl-5-O- DIMEOXOXYTRITYL-5-METHYLCYTIDEDID-3 '-PhosSoramidite;N4-benzoyl-2 '-O-Methoxyethyl-5 '-O-dimethoxytrityl-5-methylcytidine-3 '- Amidite
Magamit ang Spectra
13 C NMR
Hetero nmr
Mga kabtangan nga magamit
Biyikolohiya
Kimikal
Lipinski
May kalabutan sa istruktura
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Factor sa Bioconcentration | 171 | Ph 1; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1250 | Ph 2; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 47600 | Ph 3; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 6.44 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 5; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 6; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.00 x 106 | Ph 7; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 7.79 x 105 | Ph 8; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 1.63 x 105 | Ph 9; Tats: 25 ° C | (1) ACD |
| Factor sa Bioconcentration | 30800 | 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 | 106 | Ph 1; Tats: 25 ° C | (1) ACD |
| Lang | 773 | Ph 2; Tats: 25 ° C | (1) ACD |
| Lang | 29500 | Ph 3; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Lang | 3.99 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
| Lang | 8.02 x 105 | Ph 5; Tats: 25 ° C | (1) ACD |
| Lang | 8.70 x 105 | Ph 6; Tats: 25 ° C | (1) ACD |
| Lang | 8.16 X 105 | Ph 7; Tats: 25 ° C | (1) ACD |
| Lang | 4.83 x 105 | Ph 8; Tats: 25 ° C | (1) ACD |
| Lang | 1.01 x 105 | Ph 9; Tats: 25 ° C | (1) ACD |
| Lang | 19100 | Ph 10; Tats: 25 ° C | (1) ACD |
| troso | 4.48 | Ph 1; Tats: 25 ° C | (1) ACD |
| troso | 5.34 | Ph 2; Tats: 25 ° C | (1) ACD |
| troso | 6.92 | Ph 3; Tats: 25 ° C | (1) ACD |
| troso | 8.06 | Ph 4; Tats: 25 ° C | (1) ACD |
| troso | 8.36 | Ph 5; Tats: 25 ° C | (1) ACD |
| troso | 8.39 | Ph 6; Tats: 25 ° C | (1) ACD |
| troso | 8.37 | Ph 7; Tats: 25 ° C | (1) ACD |
| troso | 8.14 | Ph 8; Tats: 25 ° C | (1) ACD |
| troso | 7.46 | Ph 9; Tats: 25 ° C | (1) ACD |
| troso | 6.73 | Ph 10; Tats: 25 ° C | (1) ACD |
| logP | 8.401 ± 0.723 | Tats: 25 ° C | (1) ACD |
| Mass Intrinsic Solubility | 1.4 x 10-4 g / l | Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.1 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 0.16 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 4.1 x 10-3 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 3.0 x 10-4 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.5 x 10-4 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.4 x 10-4 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.5 x 10-4 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 2.5 x 10-4 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.2 x 10-3 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 6.3 x 10-3 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
| Mass Solubility | 1.5 x 10-4 g / l | Wala'y pulos nga tubig Ph 6.97; Tats: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 1.5 x 10-7 MOL / L | Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.2 x 10-3 Mol / l | Ph 1; Tats: 25 ° C | (1) ACD |
| Kabtangan | Bili | Kahimtang | Tinubdan |
| Molar Solubility | 1.7 x 10-4 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 4.4 x 10-6 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 3.2 x 10-7 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.6 x 10-7 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.5 x 10-7 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.6 x 10-7 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 2.7 x 10-7 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.3 x 10-6 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 6.8 x 10-6 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
| Molar Solubility | 1.6 x 10-7 MOL / L | Wala'y pulos nga tubig Ph 6.97; Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 922.01 | ||
| pka | 8.59 ± 0.40 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
| pka | 3.87 ± 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 | 22 | (1) ACD | |
| H Pagdawat | 15 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H Donor / Pagdawat Sum | 16 | (1) ACD | |
| logP | 8.401 ± 0.723 | Tats: 25 ° C | (1) ACD |
| Gibug-aton sa molekula | 922.01 |
(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 | 176 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
1 h nmr
13 C NMR
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