C33H39N5O6 l-ornithinamide, N-[(9h-fluoren-9-ylmethoxy) carbóinile] -l-valyl-n5- (aminocarbonyl) -n- [4- (hiodrocsamethyl) feinil]-(9ci, ACI)

toradh

C33H39N5O6 l-ornithinamide, N-[(9h-fluoren-9-ylmethoxy) carbóinile] -l-valyl-n5- (aminocarbonyl) -n- [4- (hiodrocsamethyl) feinil]-(9ci, ACI)

Faisnéis bhunúsach:


Sonraí Táirgí

Clibeanna Táirgí

Airíonna fisiceacha

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.

Ainmneacha agus aitheantóirí eile

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-

Speictream turgnamhach

Speictrim ar fáil
1H NMR
13c NMR

Airíonna tuartha

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

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Speictrim tuartha

Speictrim ar fáil
1H NMR
13c NMR


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