C21H23N3O5 l-ornithine, N5- (aminocarbonyl) -n2-[(9H-fluoren-9-ylmethoxy)-(9ci, ACI)
Príomh -airíonna fisiceacha | Luach | Coinníollacha a chur le |
Meáchan móilíneach | 397.43 | - |
Fiuchphointe (tuartha) | 671.5 ± 55.0 ° C. | Brúigh: 760 Torr |
Dlús (tuartha) | 1.316 ± 0.06 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr |
PKA (tuartha) | 3.84 ± 0.21 | An luas is aigéid: 25 ° C. |
Smiles Canónach O = C (occ1c = 2c = cc = cc2c = 3c = cc = cc31) nc (c (= o) o) cccnc (= o) n
Smiles isiméireacha C (OC (N [C @@ H] (CCCNC (N) = O) C (O) = O) = O) C1C = 2C (C = 3C1 = CC = CC3) = CC = CC2
Orlach
Inchi = 1S/C21H23N3O5/C22-20 (27) 23-11-5-10-18 (19 (25) 26) 24-21 (28) 29-12-17-15-8-3-1-6-6-13 (15) 14-7-2-4-9-16 (14) 17/H1-4,6-6-9,17H, 5,10-12H2, (H, 24,28) (H, 25,26) (H3,22,23,27)/T18-/M0/S1
Eochair Inchi
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 ainmneacha eile don tsubstaint seo
N5- (aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl] -l-onithine (ACI); (2s) -5- (carbamoylamino) -2- (9H-fluoren-9-ylmethox ycarbonylamino) aigéad pentanoic; (2s) -5- (carbamoylamino) -2-([[[9H-fluoren-9-yl) methoxy] carbonyl] aimín) aigéad pentanoic; 218: PN: U S20070042401 Leathanach: 29 próitéin éilithe; 909: PN: WO2006135786 Leathanach: 59 próitéin éilithe; FMOC-L-Citrulline
Speictrim ar fáil
1H NMR
13c NMR
Mir
Airíonna atá ar fáil |
Bitheolaíoch |
Ceimiceán |
Dlús |
Lipinski |
A bhaineann le struchtúr |
Teirmeach |
Bitheolaíoch
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fachtóir bith -chomhchruinnithe | 54.3 | pH 1; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 52.8 | pH 2; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 40.0 | pH 3; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 11.7 | pH 4; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.45 | pH 5; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 6; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | pH 7; TEMP: 25 ° C. | (1) ACD |
Fachtóir bith -chomhchruinnithe | 1.0 | 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 | 606 | pH 1; TEMP: 25 ° C. | (1) ACD |
KOC | 589 | pH 2; TEMP: 25 ° C. | (1) ACD |
KOC | 446 | pH 3; TEMP: 25 ° C. | (1) ACD |
KOC | 130 | pH 4; TEMP: 25 ° C. | (1) ACD |
KOC | 16.2 | pH 5; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
KOC | 1.76 | pH 6; TEMP: 25 ° C. | (1) ACD |
KOC | 1.0 | pH 7; TEMP: 25 ° C. | (1) ACD |
KOC | 1.0 | pH 8; TEMP: 25 ° C. | (1) ACD |
KOC | 1.0 | pH 9; TEMP: 25 ° C. | (1) ACD |
KOC | 1.0 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 2.59 | pH 1; TEMP: 25 ° C. | (1) ACD |
logáil | 2.57 | pH 2; TEMP: 25 ° C. | (1) ACD |
logáil | 2.45 | pH 3; TEMP: 25 ° C. | (1) ACD |
logáil | 1.92 | pH 4; TEMP: 25 ° C. | (1) ACD |
logáil | 1.01 | pH 5; TEMP: 25 ° C. | (1) ACD |
logáil | 0.05 | pH 6; TEMP: 25 ° C. | (1) ACD |
logáil | -0.76 | pH 7; TEMP: 25 ° C. | (1) ACD |
logáil | -1.10 | pH 8; TEMP: 25 ° C. | (1) ACD |
logáil | -1.15 | pH 9; TEMP: 25 ° C. | (1) ACD |
logáil | -1.16 | pH 10; TEMP: 25 ° C. | (1) ACD |
logáil | 2.591 ± 0.426 | TEMP: 25 ° C. | (1) ACD |
Aifreann Intreach intreach | 4.8 x 10-3 g/l | TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 4.8 x 10-3 g/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 5.2 x 10-3 g/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 6.8 x 10-3 g/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 0.023 g/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 0.18 g/L. | pH 5; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 1.7 g/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 11 g/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 23 g/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 27 g/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 27 g/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Aifreann tuaslagthachta | 0.032 g/L. | Uisce neamh -mhaolaithe pH 4.18; TEMP: 25 ° C. | (1) ACD |
Intuaslagthacht intreach molar | 1.2 x 10-5 mol/l | TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.2 x 10-5 mol/l | pH 1; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.3 x 10-5 mol/l | pH 2; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 1.7 x 10-5 mol/l | pH 3; TEMP: 25 ° C. | (1) ACD |
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Tuaslagthacht molar | 5.7 x 10-5 mol/l | pH 4; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 4.6 x 10-4 mol/l | pH 5; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 4.2 x 10-3 mol/l | pH 6; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.027 mol/l | pH 7; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.059 mol/l | pH 8; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.067 mol/l | pH 9; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 0.068 mol/l | pH 10; TEMP: 25 ° C. | (1) ACD |
Tuaslagthacht molar | 8.0 x 10-5 mol/l | Uisce neamh -mhaolaithe pH 4.18; TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 397.43 | ||
pka | 3.84 ± 0.21 | An luas is aigéid: 25 ° C. | (1) ACD |
pka | -0.21 ± 0.70 | An luas is bunúsaí: 25 ° C. | (1) ACD |
Brú gaile | 6.01 x 10-19 Torr | TEMP: 25 ° C. | (1) ACD |
.
Dlús
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Dlús | 1.316 ± 0.06 g/cm3 | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
Toirt molar | 301.8 ± 3.0 cm3/mol | TEMP: 20 ° C; Brúigh: 760 Torr | (1) ACD |
.
Lipinski
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Bannaí rotatable faoi shaoirse | 9 | (1) ACD | |
H Glacadóirí | 8 | (1) ACD | |
Hontóirí H. | 5 | (1) ACD | |
H suim deontóra/glacadóir | 13 | (1) ACD | |
logáil | 2.591 ± 0.426 | TEMP: 25 ° C. | (1) ACD |
Meáchan móilíneach | 397.43 |
.
A bhaineann le struchtúr
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Achar dromchla polar | 131 A2 | (1) ACD |
.
Teirmeach
Maoin | Luach | Coinníollacha a chur le | Aimsigh |
Fiuchphointe | 671.5 ± 55.0 ° C. | Brúigh: 760 Torr | (1) ACD |
Eantalpacht an ghalraithe | 103.64 ± 3.0 kJ/mol | Brúigh: 760 Torr | (1) ACD |
Bonnphointe | 359.9 ± 31.5 ° C. | (1) ACD |
.
Speictrim ar fáil
1H NMR
13c NMR
Liosta Rialála: IECSC, TCSI, VNECI Faisnéis Ghnó Rúnda: Poiblí
Comhchiallaigh rialála | ||
Aigéad FMOC-L-2-Amino-5-Eurido-N-Valeric | IECSC | - |
L-ornithine, n5- (aminocarbonyl) -n2-[(9H-fluoren-9-ylmethoxy) carbóinile]-- | TCSI, VNECI | - |
Sonraí de réir Tíre/Idirnáisiúnta & Liostaí Eile Faisnéis Tíre/Réigiún ar fáil ar fáil
Achoimre na Síne
Stádas Fardail ar IECSC
Fardal na substaintí ceimiceacha atá ann cheana sa tSín Ainm (í) liosta liostaithe: FMOC-L-2-AMINO-5-EURIDO-N-VALERIC ACID
Achoimre Taiwan
Stádas Fardail ar Gazette Rialtais TCSI Taiwan
Achoimre Viet Nam
Stádas Fardail ar VNeci
Dréacht Vítneam Fardal Ceimiceach Náisiúnta