C48H54N7O8P Adenosine, N-BenZoyl-5 '-O- [BIS (4-methyphenyl) phenylmethyl] -2' - O-methyl-, 3 '- 2-cyanoethyl

vokatra

C48H54N7O8P Adenosine, N-BenZoyl-5 '-O- [BIS (4-methyphenyl) phenylmethyl] -2' - O-methyl-, 3 '- 2-cyanoethyl

Fampahalalana fototra:


Ny antsipiriany momba ny vokatra

Product Tags

Antsipiriany

Laharana fisoratana anarana CAS

110782-31-5

H335, H331, H319, H315, H311, H301 + H311 + H331, H301

Fananana ara-batana lehibe sarobidy toe-javatra
Lanjan'ny molekiola 887.96 -
PKA (nambara) 7.87 ± 0.43 Ankamaroan'ny temps temp: 25 ° C

Anarana sy mpanabe hafa

Tsiky kanonika

N # cccop (oc1c (oc (n2c = NC = 3C (= NC = NC32) NC (= C = CC = CC = C (OC) C = C (OC) C = C7) C = C (C (C (C (C (C (C (C (C (C

Mitsiky i Isomeric

C (OC [c @@ h] 1 [c @@ h] (op (c (c (c (c (c (n) c) occc # n) C (OC) C = C5) (C6 = CC = C (OC) C = C6) C7 = CC = CC = CC = CC = CC = CC = CC

Inchi

Inchi = 1s / c48h54n7o8p / c1-32 (2) 55 (33 (3) 4) 64 (61-28-14-27-49) 63-42-40 (62-47 (43 (4252-41444 (50-30-51-45 (41) 54) 53-46 (5 6) 34-15-10-8-11-16-34) 29-60-48 (35-17-12-9-13-18-35,9-13-19-23-38 (57-5) 24-20-36) 37-20-36) 37-20-25-39 (58-6) 26-22-37 / h8-13,15-26,30-33,15-26 2-43,47H, 14,28-29h2,1-7H3, (H, 50,51,53,56) / T40-, 42-, 43- 47-, 64? / M1 / ​​S1

Inchi Key

Azcgotuyepxhmj-psvhyzmasa-n

2 anarana hafa ho an'ity akora ity

Adenosine,N-benzoyl-5 '-O- [bis (4-metoxylhenchyl) phenylmethyl] -2 '-O-methyl-, 3 '- [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9ci); 5 '-O- (4,4 '-dimethoxytrityl) -N6-Benzoyl-2' -O-methyladenosine 3 '- (2-CyanoethylN,N-diisopropylphosphoramidite)

Spectrimal spectra

Spectra misy
13 C NMR
Hetero nmr
-bahoaka

Ny fananana mialoha

Fananana misy
niteraka
simika
Lipinski
Mifandraika mifandraika

niteraka

NY FANANANA sarobidy toe-javatra Source
Factor Bioconcentration 4050 PH 1; Temp: 25 ° C (1) ACD
Factor Bioconcentration 1.08 x 105 PH 2; Temp: 25 ° C (1) ACD
Factor Bioconcentration 1.00 x 106 PH 3; Temp: 25 ° C (1) ACD
Factor Bioconcentration 1.00 x 106 PH 4; Temp: 25 ° C (1) ACD
Factor Bioconcentration 1.00 x 106 PH 5; Temp: 25 ° C (1) ACD
Factor Bioconcentration 1.00 x 106 PH 6; Temp: 25 ° C (1) ACD
Factor Bioconcentration 1.00 x 106 PH 7; Temp: 25 ° C (1) ACD
Factor Bioconcentration 1.00 x 106 PH 8; Temp: 25 ° C (1) ACD
Factor Bioconcentration 2.10 x 105 PH 9; Temp: 25 ° C (1) ACD
Factor Bioconcentration 60800 PH 10; Temp: 25 ° C (1) ACD

(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)

simika

NY FANANANA sarobidy toe-javatra Source
Koc 1830 PH 1; Temp: 25 ° C (1) ACD
Koc 48700 PH 2; Temp: 25 ° C (1) ACD
Koc 4.91 x 105 PH 3; Temp: 25 ° C (1) ACD
Koc 1.52 x 106 PH 4; Temp: 25 ° C (1) ACD
Koc 1.90 x 106 PH 5; Temp: 25 ° C (1) ACD
Koc 1.91 x 106 PH 6; Temp: 25 ° C (1) ACD
Koc 1.57 x 106 PH 7; Temp: 25 ° C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Koc 5.78 x 105 PH 8; Temp: 25 ° C (1) ACD
Koc 95000 PH 9; Temp: 25 ° C (1) ACD
Koc 27500 PH 10; Temp: 25 ° C (1) ACD
LogD 6.01 PH 1; Temp: 25 ° C (1) ACD
LogD 7.43 PH 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 PH 6; 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
Logp 9.038 ± 0.723 Temp: 25 ° C (1) ACD
Solondrailala an-tsokosoko 1.4 x 10-5 g / l Temp: 25 ° C (1) ACD
Supubility Mass 0.014 g / l PH 1; Temp: 25 ° C (1) ACD
Supubility Mass 5.3 x 10-4 g / l PH 2; Temp: 25 ° C (1) ACD
Supubility Mass 5.3 x 10-5 g / l PH 3; Temp: 25 ° C (1) ACD
Supubility Mass 1.7 x 10-5 g / l PH 4; Temp: 25 ° C (1) ACD
Supubility Mass 1.3 x 10-5 g / l PH 5; Temp: 25 ° C (1) ACD
Supubility Mass 1.3 x 10-5 g / l PH 6; Temp: 25 ° C (1) ACD
Supubility Mass 1.7 x 10-5 g / l PH 7; Temp: 25 ° C (1) ACD
Supubility Mass 4.5 x 10-5 g / l PH 8; Temp: 25 ° C (1) ACD
Supubility Mass 2.8 x 10-4 g / l PH 9; Temp: 25 ° C (1) ACD
Supubility Mass 9.8 x 10-4 g / l PH 10; Temp: 25 ° C (1) ACD
Supubility Mass 1.7 x 10-5 g / l Rano tsy voaroy 6,99; Temp: 25 ° C (1) ACD
Movra intrinsic solubility 1.6 x 10-8 mol / l Temp: 25 ° C (1) ACD
Molar Solubility 1.6 x 10-5 mol / l PH 1; Temp: 25 ° C (1) ACD
Molar Solubility 6.0 x 10-7 mol / l PH 2; Temp: 25 ° C (1) ACD
Molar Solubility 6.0 x 10-8 mol / l PH 3; Temp: 25 ° C (1) ACD
Molar Solubility 1.9 x 10-8 mol / l PH 4; Temp: 25 ° C (1) ACD
Molar Solubility 1.5 x 10-8 mol / l PH 5; Temp: 25 ° C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Molar Solubility 1.5 x 10-8 mol / l PH 6; Temp: 25 ° C (1) ACD
Molar Solubility 1.9 x 10-8 mol / l PH 7; Temp: 25 ° C (1) ACD
Molar Solubility 5.1 x 10-8 Mol / l PH 8; Temp: 25 ° C (1) ACD
Molar Solubility 3.1 x 10-7 mol / l PH 9; Temp: 25 ° C (1) ACD
Molar Solubility 1.1 x 10-6 Mol / l PH 10; Temp: 25 ° C (1) ACD
Molar Solubility 1.9 x 10-8 mol / l Rano tsy voaroy 6,99; Temp: 25 ° C (1) ACD
Lanjan'ny molekiola 887.96    
pka 7.87 ± 0.43 Ankamaroan'ny temps temp: 25 ° C (1) ACD
pka 3.45 ± 0.70 Ny ankamaroan'ny Temp: 25 ° C (1) ACD

(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)

Lipinski

NY FANANANA sarobidy toe-javatra Source
Fatorana rotatateble malalaka 19   (1) ACD
H Mpanaja 15   (1) ACD
H mpamatsy vola 1   (1) ACD
H Donor / Accas Sum 16   (1) ACD
Logp 9.038 ± 0.723 Temp: 25 ° C (1) ACD
Lanjan'ny molekiola 887.96    

(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)

Mifandraika mifandraika

NY FANANANA sarobidy Loharano fepetra
Faritra misy polar 178 A2 (1) ACD

(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)

Pressed spectra

Spectra misy
1 h nmr
13 C NMR

GHS Hazard Fanambarana

fehezan-dalàna Fanambarana momba ny loza Source
H335 Mety hiteraka hatezerana Expert Curated

 

fehezan-dalàna Fanambarana momba ny loza Source
H331 Poizina raha voahosotra Expert Curated
H319 Miteraka fahasosorana be loatra Expert Curated
H315 Mahatonga ny fanelingelenana hoditra Expert Curated
H311 Poizina mifandray amin'ny hoditra Expert Curated
H301 + H311 + H331 Poizina raha mitelina, mifandray amin'ny hoditra na ny fofonaina Expert Curated
H301 Poizina raha mitelina Expert Curated

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