C17H17N5O5 adenosine, N-Benzoyl- (7ci, 9ci, ACI) H333, H303, H302
| Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
| Meáchan móilíneach | 371.35 | - |
| Leáphointe (turgnamhach) | 152 ° C. | - |
| Dlús (tuartha) | 1.70 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
| PKA (tuartha) | 7.87 ± 0.43 | An luas is aigéid: 25 ° C. |
Smiles Canónach O = C (NC1 = NC = NC2 = C1N = CN2C3OC (CO) C (O) C3O) C = 4C = CC = CC4
Smiles isiméireacha O [C@H] 1 [C@H] (N2C = 3C (N = C2) = C (NC (= O) C4 = CC = CC = C4) N = CN3) O [C@H] (CO) [C@H] 1O
Orlach
Inchi = 1S/C17H17N5O5/C23-6-10-12 (24) 13 (25) 17 (27-10) 22-8-20-11-14 (18-7-19-15 (11) 22) 21-16 (26) 9-4-2-1-3-5-9/H1-5,7-10,12-13,17, 23-25H, 6H2, (h, 18,19,21,26)/t10-, 12-, 13-, 17-/M1/S1
Eochair Inchi
NZDWTKFDAUOOIA-CNEMSGBDSA-N
3 ainmneacha eile don tsubstaint seo
Benzamide, N- (9-β-D-Ribofuranosyl-9H-Purin-6-yl)-(8ci); N-Benzoyladenosine (ACI); N6-Benzoyladenosine
| Airíonna atá ar fáil |
| Teirmeach |
Teirmeach
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Leáphointe | 152 ° C. | (1) IC | |
(1) Gopalakrishnan, Vidhya; Imeachtaí - Acadamh na nEolaíochtaí Indiach, Eolaíochtaí Ceimiceacha, (1989), 101 (5), 401-13, Caplus
Speictrim ar fáil
1H NMR
13c NMR
Hetero NMR
IR
| Airíonna atá ar fáil |
| Bitheolaíoch |
| Ceimiceán |
| Dlús |
| Lipinski |
| A bhaineann le struchtúr |
Bitheolaíoch
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 1; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.83 | pH 2; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2.56 | pH 3; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2.67 | pH 4; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2.68 | pH 5; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2.65 | pH 6; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 2.37 | pH 7; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.16 | pH 8; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 9; TEMP: 25 ° C. | (1) ACD |
| Fachtóir bith -chomhchruinnithe | 1.0 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Ceimiceán
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| KOC | 12.6 | pH 1; TEMP: 25 ° C. | (1) ACD |
| KOC | 48.2 | pH 2; TEMP: 25 ° C. | (1) ACD |
| KOC | 67.3 | pH 3; TEMP: 25 ° C. | (1) ACD |
| KOC | 70.1 | pH 4; TEMP: 25 ° C. | (1) ACD |
| KOC | 70.3 | pH 5; TEMP: 25 ° C. | (1) ACD |
| KOC | 69.5 | pH 6; TEMP: 25 ° C. | (1) ACD |
| KOC | 62.2 | pH 7; TEMP: 25 ° C. | (1) ACD |
| KOC | 30.5 | pH 8; TEMP: 25 ° C. | (1) ACD |
| KOC | 5.54 | pH 9; TEMP: 25 ° C. | (1) ACD |
| KOC | 1.22 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | 0.12 | pH 1; TEMP: 25 ° C. | (1) ACD |
| logáil | 0.70 | pH 2; TEMP: 25 ° C. | (1) ACD |
| logáil | 0.85 | pH 3; TEMP: 25 ° C. | (1) ACD |
| logáil | 0.86 | pH 4; TEMP: 25 ° C. | (1) ACD |
| logáil | 0.87 | pH 5; TEMP: 25 ° C. | (1) ACD |
| logáil | 0.86 | pH 6; TEMP: 25 ° C. | (1) ACD |
| logáil | 0.81 | pH 7; TEMP: 25 ° C. | (1) ACD |
| logáil | 0.50 | pH 8; TEMP: 25 ° C. | (1) ACD |
| logáil | -0.24 | pH 9; TEMP: 25 ° C. | (1) ACD |
| logáil | -0.89 | pH 10; TEMP: 25 ° C. | (1) ACD |
| logáil | 0.868 ± 0.577 | TEMP: 25 ° C. | (1) ACD |
| Aifreann Intreach intreach | 0.037 g/l | TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.22 g/L. | pH 1; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.056 g/L. | pH 2; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.041 g/L. | pH 3; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.041 g/L. | pH 4; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.037 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.041 g/L. | pH 6; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.045 g/L. | pH 7; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.089 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 0.48 g/L. | pH 9; TEMP: 25 ° C. | (1) ACD |
| Aifreann tuaslagthachta | 2.2 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Aifreann tuaslagthachta | 0.041 g/L. | Uisce neamh -mhaolaithe pH 5.93; TEMP: 25 ° C. | (1) ACD |
| Intuaslagthacht intreach molar | 1.0 x 10-4 mol/l | TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 5.8 x 10-4 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.5 x 10-4 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-4 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-4 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.0 x 10-4 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-4 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.2 x 10-4 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 2.4 x 10-4 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.3 x 10-3 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 6.0 x 10-3 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
| Tuaslagthacht molar | 1.1 x 10-4 mol/l | Uisce neamh -mhaolaithe pH 5.93; TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 371.35 | ||
| pka | 7.87 ± 0.43 | An luas is aigéid: 25 ° C. | (1) ACD |
| pka | 1.39 ± 0.10 | An luas is bunúsaí: 25 ° C. | (1) ACD |
.
Dlús
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Dlús | 1.70 ± 0.1 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
| Toirt molar | 217.3 ± 7.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Lipinski
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Bannaí rotatable faoi shaoirse | 6 | (1) ACD | |
| H Glacadóirí | 10 | (1) ACD | |
| Hontóirí H. | 4 | (1) ACD | |
| H suim deontóra/glacadóir | 14 | (1) ACD | |
| logáil | 0.868 ± 0.577 | TEMP: 25 ° C. | (1) ACD |
| Meáchan móilíneach | 371.35 |
.
A bhaineann le struchtúr
| Maoin | Luach | Coinníollacha a chur le | Aimsigh |
| Achar dromchla polar | 143 A2 | (1) ACD | |
.
Speictrim ar fáil
1H NMR
13c NMR
| Cód | Ráiteas guaise | Aimsigh |
| H333 | Féadfaidh sé a bheith díobhálach má ionanálaítear é | Saineolaí coimeádaithe |
| H303 | Féadfaidh sé a bheith dochrach má shlogtar é | Saineolaí coimeádaithe |
| H302 | Díobhálach má shlogtar é | Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach (ECHA) - Aicmiú agus Lipéadú Fógraithe - Fógraí is Coitianta, Fardal Aicmithe & Lipéadú na Gníomhaireachta Ceimiceach Eorpach - Aicmiú agus Lipéadú Fógraithe - Fógraí is tromchúisí |
Liosta Rialála: Reach, TCSI
Faisnéis faoi Ghnó Rúnda: Poiblí
| Comhchiallaigh rialála | ||
| Adenosine, N-Benzoyl- | Reach, TCSI | - |
| N- {9-[(2r, 3r, 4s, 5r) -3,4-dihydroxy-5- (hiodrocsamethyl) oxolan-2-yl] -9H-purin-6-yl} benzamide | Fad láimhe | - |
| N6-Benzoyladenosine | Fad láimhe | - |
Sonraí de réir Tíre/Idirnáisiúnta & Liostaí Eile Faisnéis Tíre/Réigiún ar fáil ar fáil
Achoimre ar an Aontas Eorpach
Stádas Fardail ar Liosta Reach na Substaintí Cláraithe
https://echa.europa.eu/substance-information/-/substanceinfo/100.132.658
Uimhir Liosta Rialála CE Uimh.: 610-251-3
Achoimre Taiwan
Stádas Fardail ar Rialtas TCSI Taiwan G.a
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