C48H4N7o8p Adenosine, N-Benzoyl-5 '-o- [Methoxyphyl)-Methoxyyl)-N-BIS (1-Methylethyl) Phosphor Amidite] (Aci)
Lub Neej Npe Ntawv Sau Npe
110782-31-5
H335, H331, H319, H319, H315, H315, H311, H301 + H311 + H331, H331, H331, H331, H331, H331, H331, H331, H331, H331, H331, H331, H331, H331, H331, H331, H331, H331, H331
Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
Molecular hnyav | 887.96 | - |
PKA (kwv yees) | 7.87 ± 0.43 | Feem ntau acidic temp: 25 ° C |
Canonical luag nyav
N # CCCOP (OC (N2C = NC = NC = NC (CC = CC = CC = CC = CCE (C) C) C) C) C) C) C) C) C) CC) CC = C) C) C) C)
Isomeric luag
C (OC [C @@ H] 1 [C @@ (C) CC = CC = CC = CC = CC = CC = CC = CC = C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = C7
Tus hauv onei
Inchi = 1s / C48H4N7o8p / C1-32 (42-49) 64-44 (42) 54) 54) 54) 53-46 (5 6) 34-15-15-15-11-11-11-11-11-11-11-11-11-11-17-5-13-18-35 (58-6) 26-22-5-13,30,30,30,30,30,4,4,4 2-43-43,47H, 14,28-292,1-7H3, (h, 50,53,56) / T40-, 43-, 46-, 64? / M1 / S1
Inchi tus yuam sij
AzcGotuyepxhmj-psvhyzmasa-n
2 lwm lub npe rau cov khoom siv no
Adenosine,N-Benzoyl-5 '-O- [bis (4-mexyoxyphenyl) penylmethyl] -2 '-O-Mov-, 3 '- [2-cyanyyl bis (1-Methylethyl) phosphoramidite] (9ci); 5 '-O- (4,4 '-dimethoxytrityl) -n6-benzoyl-2' -O-Methyladenosine 3 '- (2-cyanoethylN,N-diisopropyrphosphoras)
Spectra muaj
13 c nmr
Hetero Nmr
Qho hnyav
Cov khoom muaj
Kev muaj txuj Ci
Tshuaj
Ncauj lus di ncauj
Cov qauv muaj feem xyuam
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Bioconclivration qhov tseem ceeb | 4050 | PH 1; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.08 x 105 | PHA 2; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | PH 3; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | p.c; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 1.00 x 106 | PH 8; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 2.10 X 105 | PH 9; Temp: 25 ° C | (1) ACD |
Bioconclivration qhov tseem ceeb | 605 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Txhim hoom | 1830 | PH 1; Temp: 25 ° C | (1) ACD |
Txhim hoom | 48700 | PHA 2; Temp: 25 ° C | (1) ACD |
Txhim hoom | 4.91 x 105 | PH 3; Temp: 25 ° C | (1) ACD |
Txhim hoom | 1.52 x 106 | PH 4; Temp: 25 ° C | (1) ACD |
Txhim hoom | 1.90 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
Txhim hoom | 1.91 x 106 | p.c; Temp: 25 ° C | (1) ACD |
Txhim hoom | 1.57 x 106 | pH 7; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Txhim hoom | 5.78 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
Txhim hoom | 95 | PH 9; Temp: 25 ° C | (1) ACD |
Txhim hoom | 27500 | pH 10; Temp: 25 ° C | (1) ACD |
logd | 6.01 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 7.43 | PHA 2; Temp: 25 ° C | (1) ACD |
logd | 8.44 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 8.93 | PH 4; Temp: 25 ° C | (1) ACD |
logd | 9.02 | PH 5; Temp: 25 ° C | (1) ACD |
logd | 9.02 | p.c; Temp: 25 ° C | (1) ACD |
logd | 8.94 | pH 7; Temp: 25 ° C | (1) ACD |
logd | 8.51 | PH 8; Temp: 25 ° C | (1) ACD |
logd | 7.72 | PH 9; Temp: 25 ° C | (1) ACD |
logd | 7.18 | pH 10; Temp: 25 ° C | (1) ACD |
lub cim | 9.038 ± 0.723 | Temp: 25 ° C | (1) ACD |
Kev ua yeeb yam loj solubility solubility | 1.4 x 10-5 g / l | Temp: 25 ° C | (1) ACD |
Loj solubility | 0.014 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.3 x 10-4 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
Loj solubility | 5.3 x 10-5 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.7 x 10-5 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.3 x 10-5 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.3 x 10-5 g / l | p.c; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.7 x 10-5 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Loj solubility | 4.5 x 10-5 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Loj solubility | 2.8 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Loj solubility | 9.8 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
Loj solubility | 1.7 x 10-5 g / l | Unbuffered dej pH 6.99; Temp: 25 ° C | (1) ACD |
Molar intrinsic solubility | 1.6 x 10-8 mol / l | Temp: 25 ° C | (1) ACD |
Raug solubility | 1.6 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Raug solubility | 6.0 x 10-7 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
Raug solubility | 6.0 x 10-8 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.9 x 10-8 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.5 x 10-8 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Raug solubility | 1.5 x 10-8 mol / l | p.c; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.9 x 10-8 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Raug solubility | 5.1 x 10-8 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Raug solubility | 3.1 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.1 x 10-6 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
Raug solubility | 1.9 x 10-8 mol / l | Unbuffered dej pH 6.99; Temp: 25 ° C | (1) ACD |
Molecular hnyav | 887.96 | ||
pa kua muag | 7.87 ± 0.43 | Feem ntau acidic temp: 25 ° C | (1) ACD |
pa kua muag | 3.45 ± 0.70 | Feem ntau cov sam luam: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
Dawb doatable bonds | 19 | (1) ACD | |
H neeg txais | 15 | (1) ACD | |
H pub dawb | 1 | (1) ACD | |
H pub dawb / txais nyiaj | 16 | (1) ACD | |
lub cim | 9.038 ± 0.723 | Temp: 25 ° C | (1) ACD |
Molecular hnyav | 887.96 |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ntiag tug | Tus nqi | Mob Mob |
Polar Thaj Chaw Thaj Chaw | 178 A2 | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Spectra muaj
1 h nmr
13 c nmr
Txoj cai | Cov lus sib haum | Lub hauv paus |
H335 | Tej zaum yuav ua pa ua pa | Kws muaj txuj ci yeej |
Txoj cai | Cov lus sib haum | Lub hauv paus |
H331 | TOXIC yog nqus tau | Kws muaj txuj ci yeej |
H319 | Ua rau muaj kev txob txob loj muag | Kws muaj txuj ci yeej |
H315 | Ua kom tawv nqaij voos | Kws muaj txuj ci yeej |
H311 | Tshuaj lom neeg hauv kev sib cuag nrog daim tawv nqaij | Kws muaj txuj ci yeej |
H301 + H311 + H331 | Lom yog tias nqos tau, nyob rau hauv kev sib cuag nrog tawv nqaij lossis nqus | Kws muaj txuj ci yeej |
H301 | TOXIC yog tias nqos | Kws muaj txuj ci yeej |