C45H56N7O9P guanosine, 5 '-O-[
Numero sa Registry sa Cas
150780-67-9
H303
KEY PELIKSYON PROPERTIES | Bili | Kahimtang |
Gibug-aton sa molekula | 869.94 | - |
PKA (gitagna) | 9.16 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C |
N # CCCOP (OC1C (OC (N2C = NC = 3C (CC = C (C. C) C) C (C) C) C (C) C) C
Isomeric smile
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[C@@H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC) C = C4) (C5 = CC = C (OC) C = C5) C6
Inchi
Inchi = 1s / C45H56N7O9P / C1-28 (2) 41) 49-4480-38) 47) (59-62 (59-25 (59-25 (59-25 (59-22-14-24-
46) 52 (29 (3) 4) 30) 6) 6) 36 (60-43) 26-58-31-12-32-32-32-32-32-32-32-32-32-32-33) 23-19-33-23-23 -30,36,38-39,43h, 13,25-26h2,1-9,53,53-,5-, 39-, 62?
Yawe sa inchi
IRRRDHRZOUOZNWDJ-MLLDKZSOSA-N
1 Uban pang ngalan alang sa kini nga sangkap
Guanosine, 5 '-O- [BIS (4-methoxypypyl) Phenylmethyl] -2 '-O-methyl-N- (2-methyl-1-oxopropyl) --,, 3 '- [2-cyanoethyl Bis (1-methythythyl) Phosphoramidite] (9CI)
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 | 183 | Ph 1; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 3890 | Ph 2; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 35500 | Ph 3; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1.08 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1.36 x 105 | Ph 5; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1.39 x 105 | Ph 6; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1.38 x 105 | Ph 7; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 1.24 x 105 | Ph 8; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 63600 | Ph 9; Tats: 25 ° C | (1) ACD |
Factor sa Bioconcentration | 11900 | 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 | 220 | Ph 1; Tats: 25 ° C | (1) ACD |
Lang | 4680 | Ph 2; Tats: 25 ° C | (1) ACD |
Lang | 42600 | Ph 3; Tats: 25 ° C | (1) ACD |
Lang | 1.30 x 105 | Ph 4; Tats: 25 ° C | (1) ACD |
Lang | 1.63 x 105 | Ph 5; Tats: 25 ° C | (1) ACD |
Lang | 1.67 x 105 | Ph 6; Tats: 25 ° C | (1) ACD |
Lang | 1.65 x 105 | Ph 7; Tats: 25 ° C | (1) ACD |
Lang | 1.49 x 105 | Ph 8; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Lang | 76400 | Ph 9; Tats: 25 ° C | (1) ACD |
Lang | 14200 | Ph 10; Tats: 25 ° C | (1) ACD |
troso | 4.19 | Ph 1; Tats: 25 ° C | (1) ACD |
troso | 5.52 | Ph 2; Tats: 25 ° C | (1) ACD |
troso | 6.48 | Ph 3; Tats: 25 ° C | (1) ACD |
troso | 6.96 | Ph 4; Tats: 25 ° C | (1) ACD |
troso | 7.06 | Ph 5; Tats: 25 ° C | (1) ACD |
troso | 7.07 | Ph 6; Tats: 25 ° C | (1) ACD |
troso | 7.07 | Ph 7; Tats: 25 ° C | (1) ACD |
troso | 7.02 | Ph 8; Tats: 25 ° C | (1) ACD |
troso | 6.73 | Ph 9; Tats: 25 ° C | (1) ACD |
troso | 6.00 | Ph 10; Tats: 25 ° C | (1) ACD |
logP | 7.072 ± 0.721 | Tats: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 1.2 x 10-4 g / l | Tats: 25 ° C | (1) ACD |
Mass Solubility | 0.096 g / l | Ph 1; Tats: 25 ° C | (1) ACD |
Mass Solubility | 4.3 x 10-3 g / l | Ph 2; Tats: 25 ° C | (1) ACD |
Mass Solubility | 4.8 x 10-4 g / l | Ph 3; Tats: 25 ° C | (1) ACD |
Mass Solubility | 1.6 x 10-4 g / l | Ph 4; Tats: 25 ° C | (1) ACD |
Mass Solubility | 1.2 x 10-4 g / l | Ph 5; Tats: 25 ° C | (1) ACD |
Mass Solubility | 1.2 x 10-4 g / l | Ph 6; Tats: 25 ° C | (1) ACD |
Mass Solubility | 1.2 x 10-4 g / l | Ph 7; Tats: 25 ° C | (1) ACD |
Mass Solubility | 1.4 x 10-4 g / l | Ph 8; Tats: 25 ° C | (1) ACD |
Mass Solubility | 2.7 x 10-4 g / l | Ph 9; Tats: 25 ° C | (1) ACD |
Mass Solubility | 1.4 x 10-3 g / l | Ph 10; Tats: 25 ° C | (1) ACD |
Mass Solubility | 1.2 x 10-4 g / l | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
Molar intrinsic solubility | 1.4 x 10-7 MOL / L | Tats: 25 ° C | (1) ACD |
Molar Solubility | 1.1 x 10-4 MOL / L | Ph 1; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.0 x 10-6 MOL / L | Ph 2; Tats: 25 ° C | (1) ACD |
Molar Solubility | 5.5 x 10-7 MOL / L | Ph 3; Tats: 25 ° C | (1) ACD |
Molar Solubility | 1.8 x 10-7 MOL / L | Ph 4; Tats: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-7 MOL / L | Ph 5; Tats: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-7 MOL / L | Ph 6; Tats: 25 ° C | (1) ACD |
Kabtangan | Bili | Kahimtang | Tinubdan |
Molar Solubility | 1.4 x 10-7 MOL / L | Ph 7; Tats: 25 ° C | (1) ACD |
Molar Solubility | 1.6 x 10-7 MOL / L | Ph 8; Tats: 25 ° C | (1) ACD |
Molar Solubility | 3.1 x 10-7 MOL / L | Ph 9; Tats: 25 ° C | (1) ACD |
Molar Solubility | 1.6 x 10-6 MOL / L | Ph 10; Tats: 25 ° C | (1) ACD |
Molar Solubility | 1.4 x 10-7 MOL / L | Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C | (1) ACD |
Gibug-aton sa molekula | 869.94 | ||
pka | 9.16 ± 0.20 | Kadaghanan sa acidic temps: 25 ° C | (1) ACD |
pka | 3.45 ± 0.70 | 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 | 19 | (1) ACD | |
H Pagdawat | 16 | (1) ACD | |
H donor | 2 | (1) ACD | |
H Donor / Pagdawat Sum | 18 | (1) ACD | |
logP | 7.072 ± 0.721 | Tats: 25 ° C | (1) ACD |
Gibug-aton sa molekula | 869.94 |
(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 | 194 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
Kodigo | Pahayag sa peligro | Tinubdan |
H303 | Mahimong makadaot kung gilamoy | Eksperto nga Castated |