C53H66n7o -SIPYSI Nr. Methylethyl) Phosphoramidite] (ACI)
Fas Registry Nummer
104992-55-4
Schlëssel kierperlech Eegeschafte | Wäert | Bedingchmëttel |
Molekular Gewiicht | 988.19 | - |
pka (virausgesot) | 7.87 ± 0,43 | Meescht sauer Tempo: 25 ° C |
Canonesch Laachen
N # CCCOP (OC = 5c = CC = CC5) (C6 = CC32) NC (OC) C = 4C = CC = CC4) CC4) CC = CS] CCA (CC = CC4) CC = CC4) CC = CB4) CA (CI) CS) C) CCCOP (C = 5C = CC5) (C6 = CC32) NC (OC) C = CC = CC = CC4) CC = CS] CC4) CAC = CC4) CC = CC4) CC = CC4) CC = CC4) CC = CC4) CCA (CI] CI) CI) CS) C) CCC (C = CCA = CC5) (C6 = CC32) NC (OC) C = CC = CC4 CC = C (oc) c = C7) n (c (c) c) c (c) c
Isomeresch Laachen
C (oc [c @@h) n2C = 3c (n = c2) = c) c (o) c4 = CC = CC = CI) (C) (C) (C. N = cn3) (c5 = cc = c (oc) c = c5) (c6 = cc = c (oc) c = c6) C7 = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC
Inchi
Inchi = 1s / c53H66n7POPSI / C1-36 (25--- (3) 38-24-40-18-31-54) 39-17-17-17-22-39.40-23-276 (2) 60- (3) 48-240-40 ) 45-25-29-43 (68-50 (68-51-59-19-14-12-15-15-30) 59 (59-35-57-45-57-45-57) 59-35-55-5700 39) 59) 59-35-5700 PR15 BR15 BR15 BR15 BR15 D1) 59-35-5700 PR15-45-57) 59-35-5700 PR15-45-57) 59) 59-35-55-5700 PR15-45-55-5700 PR15 2-17,1,19-30,34-3,44, 54601?
Inchi Schlëssel
FfxhncnNasxct-rfmfgjhusa-n
1 aneren Numm fir dës Substanz
ADNOONSINE,N-Benzoyl-5 '-O- [BIS (4-Joretixophyl) Phenylmthyl] -2 '-O- [1.1-Dimethylylyl) Dimethylsilyl] -, 3 '- [2-Cyanothyl Bis (1- Methylhoder) Phosphoder)
Spektre verfügbar
Mass vun Mass
Eegeschafte verfügbar
Biologesch
Chemeschen
Lipinski
Struktur verbonnen
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
BIKOCONSENTRATIOUN FIELD | 5.50 x 105 | pH 1; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 2; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 3; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 4; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 5; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 6; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 8; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | pH 9; Temp: 25 ° C | (1) ACD |
BIKOCONSENTRATIOUN FIELD | 1.00 x 106 | ph 10; Temp: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kokéieren | 615500 | pH 1; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.64 x 106 | pH 2; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.00 x 107 | pH 3; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.00 x 107 | pH 4; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.00 x 107 | pH 5; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.00 x 107 | pH 6; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.00 x 107 | pH 7; Temp: 25 ° C | (1) ACD |
Kokéieren | 1.00 x 107 | pH 8; Temp: 25 ° C | (1) ACD |
Kokéieren | 3.20 x 106 | pH 9; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Kokéieren | 9.24 x 105 | ph 10; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 8.81 | pH 1; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 10.244 | pH 2; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 11.244 | pH 3; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 11.73 | pH 4; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 11.83 | pH 5; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 11.83 | pH 6; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 11.75 | pH 7; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 11.31 | pH 8; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 10.53 | pH 9; Temp: 25 ° C | (1) ACD |
Aloggenlogt | 9.99 | ph 10; Temp: 25 ° C | (1) ACD |
AloggenO Aloggen | 11.845 ± 0.715 | Temp: 25 ° C | (1) ACD |
Mass intrinsesch Solubilitéit | 1.2 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3,5 x 10-3 g / l | pH 1; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 1.1 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 9.9 x 10-6 g / l | pH 3; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.4 x 10-6 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 2.7 x 10-6 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 2.7 x 10-6 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.2 x 10-6 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 8.9 X 10-6 g / l | pH 8; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 6.3 x 10-5 g / l | pH 9; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 4.2 x 10-4 g / l | ph 10; Temp: 25 ° C | (1) ACD |
Massebelibilitéit | 3.2 x 10-6 g / l | Ongebrach Waasser ph 7.00; Temp: 25 ° C | (1) ACD |
Molar intrinsesch Solubilitéit | 1.2 X 10-8 MOL / L | Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 3.5 x 10-6 MOL / L | pH 1; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.1 x 10-7 Mol / l | pH 2; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 1.0 x 10-8 MOL / L | pH 3; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 3.4 x 10-9 MOL / L | pH 4; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2,7 x 10-9 MOL / L | pH 5; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 2,7 x 10-9 MOL / L | pH 6; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 3.2 x 10-9 MOL / L | pH 7; Temp: 25 ° C | (1) ACD |
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Molar sublabilitéit | 9.0 x 10-9 MOL / L | pH 8; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 6.4 x 10-8 MOL / L | pH 9; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 4.2 X 10-7 MOL / L | ph 10; Temp: 25 ° C | (1) ACD |
Molar sublabilitéit | 3.2 x 10-9 MOL / L | Ongebrach Waasser ph 7.00; Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 988.19 | ||
paka | 7.87 ± 0,43 | Meescht sauer Tempo: 25 ° C | (1) ACD |
paka | 3.45 ± 0.70 | Déi meescht Basis Tempo: 25 ° C | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Prowalange | Wäert | Bedingchmëttel | Quellatioun |
Fräi rotativ Obligatiounen | 21 | (1) ACD | |
H Akzeptoren | 15 | (1) ACD | |
H Donateuren | 1 | (1) ACD | |
H Spender / Acceptor Zomm | 16 | (1) ACD | |
AloggenO Aloggen | 11.845 ± 0.715 | Temp: 25 ° C | (1) ACD |
Molekular Gewiicht | 988.19 |
Prowalange | Wäert | Konditiounsquell |
Polarfläch | 178 A2 Bues 178 | (1) ACD |
(1) berechent mat fortgeschratt Chimite Entwécklung (Acd / Labs) Software V1102 (© 1994-2023 ACD / Labs)
Fortgeschratt Chimite Entwécklung (Acd / Labs) Software V110.02 (© 1994-2023 ACD / Labs)
Spektre verfügbar
1 h nmr
13 c nmr