C33H39N5O6 l-ornithinamide, N-[(9h-fluoren-9-ylmethoxy) carbóinile] -l-valyl-n5- (aminocarbonyl) -n- [4- (hiodrocsamethyl) feinil]-(9ci, ACI)
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
Meáchan móilíneach | 601.69 | - |
Fiuchphointe (tuartha) | 914.2 ± 65.0 ° C. | Brúigh: 760 Torr |
Dlús (tuartha) | 1.276 ± 0.06 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
PKA (tuartha) | 10.63 ± 0.46 | An luas is aigéid: 25 ° C. |
Smiles canóracha O = C (occ1c = 2c = cc = cc2c = 3c = cc = cc31) nc (c (= o) nc (c (= o) nc4 = cc = c (c = c4) CO) cccnc (= o) n) c (c) C
Smiles isiméireacha C (OC (N [C@H] (C (N [C@H] (C (NC1 = CC = C (CO) C = C1) = O) CCCNC (N) = O) = O) [C@H] (C) C)
Orlach
Inchi = 1S/C33H39N5O6/C1-20 (2) 29 (38-33 (43) 44-19-27-25-10-5-3-8-23 (25) 24-9-4-6-6-11-26 (24)) 31 (41) 37-28 (12-7-17-35-35-35 (41) 37-28 (12-7-7-17-35- 32 (34) 42) 30 (40) 36-22-15-13-21 (18-39) 14-16-22/H3-6,8-11,13-16,20,27-29,39H, 7,12,17-19h2,1-2H3, (H, 36,40) (H, 37,41) (H, 38,43) (H3,34,34,34,34,34,34,34,34,34,34,34,34,34,3.
5,42)/T28-, 29-/M0/S1
Eochair Inchi
Dalmazhdnfcdrp-vmprefpwsa-n
1 ainm eile ar an tsubstaint seo
N-[(9H-Fluoren-9-ylmethoxy) carbonyl] -l-valyl-n5- (aminocarbonyl) -N-
Speictrim ar fáil
1H NMR
13c NMR
Airíonna atá ar fáil |
Bitheolaíoch |
Ceimiceán |
Dlús |
Lipinski |
A bhaineann le struchtúr |
Teirmeach |
Bitheolaíoch
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 809 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 912 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 923 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 924 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 924 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 924 | pH 6; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 924 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 922 | pH 8; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 903 | pH 9; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 750 | pH 10; TEMP: 25 ° C. | (1) ACD |
.
Ceimiceán
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 4040 | pH 1; TEMP: 25 ° C. | (1) ACD |
KOC | 4550 | pH 2; TEMP: 25 ° C. | (1) ACD |
KOC | 4610 | pH 3; TEMP: 25 ° C. | (1) ACD |
KOC | 4620 | pH 4; TEMP: 25 ° C. | (1) ACD |
KOC | 4620 | pH 5; TEMP: 25 ° C. | (1) ACD |
KOC | 4620 | pH 6; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 4620 | pH 7; TEMP: 25 ° C. | (1) ACD |
KOC | 4610 | pH 8; TEMP: 25 ° C. | (1) ACD |
KOC | 4510 | pH 9; TEMP: 25 ° C. | (1) ACD |
KOC | 3740 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 4.15 | pH 1; TEMP: 25 ° C. | (1) ACD |
logáil | 4.20 | pH 2; TEMP: 25 ° C. | (1) ACD |
logáil | 4.20 | pH 3; TEMP: 25 ° C. | (1) ACD |
logáil | 4.20 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | 4.21 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | 4.21 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | 4.20 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | 4.20 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | 4.19 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | 4.11 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 4.206 ± 0.767 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 1.7 x 10-4 g/l | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.0 x 10-4 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.7 x 10-4 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.7 x 10-4 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.7 x 10-4 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.7 x 10-4 g/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.7 x 10-4 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.7 x 10-4 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.7 x 10-4 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.7 x 10-4 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 2.1 x 10-4 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.7 x 10-4 g/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 2.9 x 10-7 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.3 x 10-7 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.9 x 10-7 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.9 x 10-7 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.9 x 10-7 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Tuaslagthacht molar | 2.9 x 10-7 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.9 x 10-7 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.9 x 10-7 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.9 x 10-7 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.9 x 10-7 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 3.5 x 10-7 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 2.9 x 10-7 mol/l | Uisce neamh -mhaolaithe pH 7.00; TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 601.69 | ||
pka | 10.63 ± 0.46 | An luas is aigéid: 25 ° C. | (1) ACD |
pka | 0.13 ± 0.50 | An luas is bunúsaí: 25 ° C. | (1) ACD |
Brú gaile | 0 Torr | TEMP: 25 ° C. | (1) ACD |
.
Dlús
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Dlús | 1.276 ± 0.06 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
Toirt molar | 471.2 ± 3.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Lipinski
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Bannaí rotatable faoi shaoirse | 15 | (1) ACD | |
H Glacadóirí | 11 | (1) ACD | |
Hontóirí H. | 7 | (1) ACD | |
H suim deontóra/glacadóir | 18 | (1) ACD | |
logáil | 4.206 ± 0.767 | TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 601.69 |
.
A bhaineann le struchtúr
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Achar dromchla polar | 172 A2 | (1) ACD |
.
Teirmeach
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fiuchphointe | 914.2 ± 65.0 ° C. | Brúigh: 760 Torr | (1) ACD |
Eantalpacht an ghalraithe | 139.25 ± 3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
Bonnphointe | 506.7 ± 34.3 ° C. | (1) ACD |
.
Speictrim ar fáil
1H NMR
13c NMR