C40H49N4O9P fual, 5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -o-meitil-, 3 ′-[2-cyanoethyl N, N-bis (1-meitilethyl) phosphoramidite] (ACI)

toradh

C40H49N4O9P fual, 5 ′ -o- [bis (4-methoxyphenyl) phenylmethyl] -2 ′ -o-meitil-, 3 ′-[2-cyanoethyl N, N-bis (1-meitilethyl) phosphoramidite] (ACI)

Faisnéis bhunúsach:


Sonraí Táirgí

Clibeanna Táirgí

Mionsonraí substainte

Uimhir Chlárlann CAS

110764-79-9

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

Príomh -airíonna fisiceacha Luach   Coinníollacha a chur le
Meáchan móilíneach 760.81   -
PKA (tuartha) 9.39 ± 0.10   An luas is aigéid: 25 ° C.

Ainmneacha agus aitheantóirí eile

Smiles Canónach

N#CCCOP (OC1C (OC (N2C = CC (= O) NC2 = O) C1OC) COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) N (C (C) C) C (C) C

Smiles isiméireach

C (OC [C @@ H] 1 [C @@ H] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (OC) [C @@ H] (O1) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) C = C3) C = CC = CC = CC = CC = CC = CC = CC = C = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c = c (

Orlach

Inchi = 1S/C40H49N4O9P/C1-27 (2) 44 (28 (3) 4) 54 (51-25-11-23-41) 53-36-34 (52-38 (37 (36) 49-7) 43-24-22-35 (45) 42-39 (43) 46) 26-5-4-40 (295 (45) 42-39 (43) 46) 2-9-8-10-13-29,30-14-18-32 (47-5) 19-15-30) 31-16-20-33 (48-6) 21-17-31/H8-10,12-22,24,27-28,34,36-38H, 11,25-26H2,1-7H3,

(H, 42,45,46)/T34-, 36-, 37-, 38-, 54?/M1/S1

Eochair Inchi

Uvuojolpndcihl-xkzjcbtisa-n

1 ainm eile ar an tsubstaint seo

Uridine, 5 ′ -O-[bis (4-methoxyphenyl) phenylmethyl] -2 ′-O-Methyl-, 3 ′-[2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI)

Speictrim ar fáil

Mir

Airíonna tuartha

Airíonna atá ar fáil
Bitheolaíoch
Ceimiceán
Lipinski
A bhaineann le struchtúr

Bitheolaíoch

Maoin Luach Coinníollacha a chur le Aimsigh
Fachtóir bith -chomhchruinnithe 254 pH 1; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 2050 pH 2; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 15400 pH 3; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 46000 pH 4; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 57500 pH 5; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 58900 pH 6; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 58900 pH 7; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 56800 pH 8; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 42300 pH 9; TEMP: 25 ° C. (1) ACD
Fachtóir bith -chomhchruinnithe 12200 pH 10; TEMP: 25 ° C. (1) ACD

.

Ceimiceán

Maoin Luach Coinníollacha a chur le Aimsigh
KOC 389 pH 1; TEMP: 25 ° C. (1) ACD
KOC 3140 pH 2; TEMP: 25 ° C. (1) ACD
KOC 23600 pH 3; TEMP: 25 ° C. (1) ACD
KOC 70500 pH 4; TEMP: 25 ° C. (1) ACD
KOC 88100 pH 5; TEMP: 25 ° C. (1) ACD
KOC 90300 pH 6; TEMP: 25 ° C. (1) ACD
KOC 90200 pH 7; TEMP: 25 ° C. (1) ACD
KOC 87100 pH 8; TEMP: 25 ° C. (1) ACD
KOC 64800 pH 9; TEMP: 25 ° C. (1) ACD
KOC 18700 pH 10; TEMP: 25 ° C. (1) ACD

 

Maoin Luach Coinníollacha a chur le Aimsigh
logáil 4.21 pH 1; TEMP: 25 ° C. (1) ACD
logáil 5.12 pH 2; TEMP: 25 ° C. (1) ACD
logáil 6.00 pH 3; TEMP: 25 ° C. (1) ACD
logáil 6.47 pH 4; TEMP: 25 ° C. (1) ACD
logáil 6.57 pH 5; TEMP: 25 ° C. (1) ACD
logáil 6.58 pH 6; TEMP: 25 ° C. (1) ACD
logáil 6.58 pH 7; TEMP: 25 ° C. (1) ACD
logáil 6.56 pH 8; TEMP: 25 ° C. (1) ACD
logáil 6.44 pH 9; TEMP: 25 ° C. (1) ACD
logáil 5.90 pH 10; TEMP: 25 ° C. (1) ACD
logáil 6.581 ± 0.646 TEMP: 25 ° C. (1) ACD
Aifreann Intreach intreach 8.4 x 10-5 g/l TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 0.019 g/L. pH 1; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 2.4 x 10-3 g/l pH 2; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 3.1 x 10-4 g/l pH 3; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 1.1 x 10-4 g/l pH 4; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 8.4 x 10-5 g/l pH 5; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 8.4 x 10-5 g/l pH 6; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 8.4 x 10-5 g/l pH 7; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 8.4 x 10-5 g/l pH 8; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 1.1 x 10-4 g/l pH 9; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 4.0 x 10-4 g/l pH 10; TEMP: 25 ° C. (1) ACD
Aifreann tuaslagthachta 8.4 x 10-5 g/l Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. (1) ACD
Intuaslagthacht intreach molar 1.1 x 10-7 mol/l TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 2.5 x 10-5 mol/l pH 1; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 3.1 x 10-6 mol/l pH 2; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 4.1 x 10-7 mol/l pH 3; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.4 x 10-7 mol/l pH 4; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.1 x 10-7 mol/l pH 5; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.1 x 10-7 mol/l pH 6; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.1 x 10-7 mol/l pH 7; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.1 x 10-7 mol/l pH 8; TEMP: 25 ° C. (1) ACD

 

Maoin Luach Coinníollacha a chur le Aimsigh
Tuaslagthacht molar 1.5 x 10-7 mol/l pH 9; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 5.2 x 10-7 mol/l pH 10; TEMP: 25 ° C. (1) ACD
Tuaslagthacht molar 1.1 x 10-7 mol/l Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. (1) ACD
Meáchan móilíneach 760.81    
pka 9.39 ± 0.10 An luas is aigéid: 25 ° C. (1) ACD
pka 3.45 ± 0.70 An luas is bunúsaí: 25 ° C. (1) ACD

.

Lipinski

Maoin Luach Coinníollacha a chur le Aimsigh
Bannaí rotatable faoi shaoirse 18   (1) ACD
H Glacadóirí 13   (1) ACD
Hontóirí H. 1   (1) ACD
H suim deontóra/glacadóir 14   (1) ACD
logáil 6.581 ± 0.646 TEMP: 25 ° C. (1) ACD
Meáchan móilíneach 760.81    

.

A bhaineann le struchtúr

Maoin Luach Foinse choinníll
Achar dromchla polar 155 A2 (1) ACD

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Speictrim tuartha

Speictrim ar fáil
1 H NMR
13 C NMR

Ráitis Ghuaise GHS

Cód Ráiteas guaise Aimsigh
H335 D’fhéadfadh sé a bheith ina chúis le greannú riospráide Saineolaí coimeádaithe
H331 Tocsaineach má ionanálaítear é Saineolaí coimeádaithe
H319 Is cúis le greannú súl tromchúiseach Saineolaí coimeádaithe
H315 Is cúis le greannú craicinn Saineolaí coimeádaithe

 

Cód Ráiteas guaise Aimsigh
H311 Tocsaineach i dteagmháil leis an gcraiceann Saineolaí coimeádaithe
H301+H311+H331 Tocsaineach má shlogtar é, i dteagmháil leis an gcraiceann nó le hionanálú Saineolaí coimeádaithe
H301 Tocsaineach má shlogtar é Saineolaí coimeádaithe

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