C38H37N3O8 nár sannadh fós
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
Meáchan móilíneach | 663.72 | - |
Dlús (tuartha) | 1.304 ± 0.06 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
PKA (tuartha) | 8.27 ± 0.10 | An luas is aigéid: 25 ° C. |
Smiles canóracha O = C1NC (= O) N (C = C1C (= O) NCC = 2C = CC = CC2) C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3
Smiles isiméireach
C (OC [c@h] 1o [c@h] (c [c @@ h] 1o) n2c = c (c (ncc3 = cc = cc = c3) = o) c (= o) nc2 = o) (c4 = cc = c (oc) c = c4) (c5 = cc = c (oc) c = c5) C6 = c = c = c = c = C 6
Orlach
Inchi = 1S/C38H37N3O8/C1-46-29-17-13-27 (14-18-29) 38 (26-11-7-4-8-12-26,28-15-19-30 (47-2) 20-16-4) 48-24-33-32 (42) 21-34 (49-33) 4 1-23-31 (36 (44) 40-37 (41) 45) 35 (43) 39-22-25-9-5-3-6-10-25/H3-20,23,32-34,42H, 21-22,24H2,1-2H3, (H, 39,43) (H, 40,44,45,45)
, 33+, 34+/m0/s1
Eochair Inchi
Nzbgrvlzispurb-lbfzijhgsa-n
Airíonna atá ar fáil |
Bitheolaíoch |
Airíonna atá ar fáil |
Ceimiceán |
Dlús |
Lipinski |
A bhaineann le struchtúr |
Bitheolaíoch
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 5250 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 5250 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 5260 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 5260 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 5250 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 5200 | pH 6; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 4720 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 2460 | pH 8; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 466 | pH 9; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 96.9 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Ceimiceán
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 16000 | pH 1; TEMP: 25 ° C. | (1) ACD |
KOC | 16000 | pH 2; TEMP: 25 ° C. | (1) ACD |
KOC | 16000 | pH 3; TEMP: 25 ° C. | (1) ACD |
KOC | 16000 | pH 4; TEMP: 25 ° C. | (1) ACD |
KOC | 16000 | pH 5; TEMP: 25 ° C. | (1) ACD |
KOC | 15800 | pH 6; TEMP: 25 ° C. | (1) ACD |
KOC | 14400 | pH 7; TEMP: 25 ° C. | (1) ACD |
KOC | 7510 | pH 8; TEMP: 25 ° C. | (1) ACD |
KOC | 1420 | pH 9; TEMP: 25 ° C. | (1) ACD |
KOC | 296 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 5.20 | pH 1; TEMP: 25 ° C. | (1) ACD |
logáil | 5.20 | pH 2; TEMP: 25 ° C. | (1) ACD |
logáil | 5.20 | pH 3; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
logáil | 5.20 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | 5.20 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | 5.19 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | 5.15 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | 4.87 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | 4.15 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | 3.46 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 5.198 ± 0.644 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 9.3 x 10-6 g/L | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 9.3 x 10-6 g/L | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 9.3 x 10-6 g/L | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 9.3 x 10-6 g/L | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 9.3 x 10-6 g/L | pH 4; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 9.3 x 10-6 g/L | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 9.3 x 10-6 g/L | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.1 x 10-5 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.0 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 | 5.1 x 10-4 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.1 x 10-5 g/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 1.4 x 10-8 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.4 x 10-8 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.4 x 10-8 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.4 x 10-8 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.4 x 10-8 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.4 x 10-8 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.4 x 10-8 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.6 x 10-8 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.0 x 10-8 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.6 x 10-7 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 7.7 x 10-7 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.6 x 10-8 mol/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Meáchan móilíneach | 663.72 | ||
pka | 8.27 ± 0.10 | An luas is aigéid: 25 ° C. | (1) ACD |
pka | -1.66 ± 0.20 | An luas is bunúsaí: 25 ° C. | (1) ACD |
.
Dlús
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Dlús | 1.304 ± 0.06 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
Toirt molar | 508.6 ± 3.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Lipinski
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Bannaí rotatable faoi shaoirse | 13 | (1) ACD | |
H Glacadóirí | 11 | (1) ACD | |
Hontóirí H. | 3 | (1) ACD | |
H suim deontóra/glacadóir | 14 | (1) ACD | |
logáil | 5.198 ± 0.644 | TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 663.72 |
.
A bhaineann le struchtúr
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Achar dromchla polar | 136 A2 | (1) ACD |
.
Speictrim ar fáil
1H NMR
13c NMR