C21H23N3O5 L-ornithine, N5- (Aminocarbonyl) -N2 - [(9h-Fluoren-9-Ylmethoxy) - (9CI, ACI)
Properties fisik Key | Regane | Kondisi |
Bobot molekuler | 397.43 | - |
Titik Giling (diprediksi) | 671.5 ± 55.0 ° C | Pencet: 760 torr |
Kapadhetan (diprediksi) | 1.316 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr |
Pka (diprediksi) | 3.84 ± 0.21 | Temp paling asam: 25 ° C |
Mesem kanonik o = c (occ1c = 2c = cc = cc = cc2c = 3c = cc = cc31) nc (c (= o) o) cccnc (= o) n
Mesem isomerik c (oc (n [C @@ h] (n) (o) c (o) = c1c = 2c (c = 3c = cc = cc = cc = cc = cc = cc = cc = CC = CC = CC
INCI
Kopi = 1s / c21h23N3o5 / C22-20 (27) 23-11-5-10-18 (19) 14-3-3-15-9-16 (14) 17/19-18) 5.10-12h2, (h, 24,28) (h, 25,26) (H3,22,23,27) / t18- / m0 / s1
Kunci inci
NBMSMZSRTRTIOFOK-SFHVURJKSA-N
6 Jeneng liya kanggo zat iki
N5- (aminocoronl) -N2 - [(9H-Fluoren-9-ylmethoxy) Carbonyl] -l-ornithine (ACI); (2s) -5- (karbamoylamamino) -2- (9H-fluoren-9-ylmethox ycarbonylamino) asam pentano; (2s) -5- (karbamoylamamino) -2 - ([[(9H-Fluoren-9-yl) MileXY] CarbonyL] Amino) Pentanoic Asam; 218: PN: U s20070042401 Kaca: 29 Protein ngaku; 909: PN: WO2006135786 Halaman: 59 ngaku protein; FMOC-L-Citrulli
Spektrum kasedhiya
1h nmr
13c NMR
Massa
Properties kasedhiya |
Biologis |
Kimia |
Kapadhetan |
Lipinski |
Struktur sing gegandhengan |
Termal |
Biologis
Properti | Regane | Kondisi | Sumber |
Faktor biokentrasi | 54.3 | PH 1; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 52.8 | PH 2; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 40.0 | PH 3; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 11.7 | pH 4; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.45 | pH 5; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
Faktor biokentrasi | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kimia
Properti | Regane | Kondisi | Sumber |
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 |
Properti | Regane | Kondisi | Sumber |
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 |
logd | 2.59 | PH 1; Temp: 25 ° C | (1) ACD |
logd | 2.57 | PH 2; Temp: 25 ° C | (1) ACD |
logd | 2.45 | PH 3; Temp: 25 ° C | (1) ACD |
logd | 1.92 | pH 4; Temp: 25 ° C | (1) ACD |
logd | 1.01 | pH 5; Temp: 25 ° C | (1) ACD |
logd | 0,05 | pH 6; Temp: 25 ° C | (1) ACD |
logd | -0.76 | pH 7; Temp: 25 ° C | (1) ACD |
logd | -1.10 | PH 8; Temp: 25 ° C | (1) ACD |
logd | -1.15 | PH 9; Temp: 25 ° C | (1) ACD |
logd | -1.16 | PH 10; Temp: 25 ° C | (1) ACD |
logp | 2.591 ± 0.426 | Temp: 25 ° C | (1) ACD |
Kelarutan Kelainan Intrinsik Massa | 4.8 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
Kelarutan massa | 4.8 x 10-3 g / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 5.2 x 10-3 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 6.8 x 10-3 g / l | PH 3; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0,023 g / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0.18 g / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 1.7 g / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 11 g / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 23 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 27 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 27 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan massa | 0.032 g / l | Banyu banyu sing ora diluncurake 4.18; Temp: 25 ° C | (1) ACD |
Kelarutan Kelaresan Inttrinsik Molar | 1.2 x 10-5 mol / l | Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.2 x 10-5 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.3 x 10-5 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 1.7 x 10-5 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Properti | Regane | Kondisi | Sumber |
Kelarutan molar | 5.7 x 10-5 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.6 x 10-4 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 4.2 x 10-3 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,027 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,059 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,067 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 0,068 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Kelarutan molar | 8.0 x 10-5 mol / l | Banyu banyu sing ora diluncurake 4.18; Temp: 25 ° C | (1) ACD |
Bobot molekuler | 397.43 | ||
PKA | 3.84 ± 0.21 | Temp paling asam: 25 ° C | (1) ACD |
PKA | -0.21 ± 070 | Umume Temp: 25 ° C | (1) ACD |
Meksa uap | 6.01 x 10-19 Torr | Temp: 25 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Kapadhetan
Properti | Regane | Kondisi | Sumber |
Kapadhetan | 1.316 ± 0,06 g / cm3 | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
Jilid Molar | 301.8 ± 3.0 cm3 / mol | Temp: 20 ° C; Pencet: 760 torr | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Lipinski
Properti | Regane | Kondisi | Sumber |
Obligasi kanthi bebas | 9 | (1) ACD | |
H Nampa | 8 | (1) ACD | |
H donor | 5 | (1) ACD | |
H Donor / Sumrah Panampa | 13 | (1) ACD | |
logp | 2.591 ± 0.426 | Temp: 25 ° C | (1) ACD |
Bobot molekuler | 397.43 |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Struktur sing gegandhengan
Properti | Regane | Kondisi | Sumber |
Area permukaan polar | 131 A2 | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Termal
Properti | Regane | Kondisi | Sumber |
Titik Giling | 671.5 ± 55.0 ° C | Pencet: 760 torr | (1) ACD |
Enthalpy saka Vaporization | 103.64 ± 3.0 kJ / mol | Pencet: 760 torr | (1) ACD |
Sligan Point | 359.9 ± 31,5 ° C | (1) ACD |
(1) Diitung nggunakake piranti lunak kimia majeng (ACD / Labs) v11.02 (© 1994-2023 ACD / Lab)
Spektrum kasedhiya
1h nmr
13c NMR
Dhaptar Regulasi: IECSC, TCSI, Informasi Bisnis Konfigurasi Vneci: Umum
Regulasi sinonim | ||
FMOC-L-2-5-Ureido-N-Valoris Asam | IECSC | - |
L-Ornithine, N5- (AminocarbonyL) -N2 - [(9h-Fluoren-9-Ylmethoxy) | Tcsi, vneci | - |
Rincian miturut negara / internasional & dhaptar informasi negara / wilayah sing kasedhiya
Ringkesan China
Status Inventori ing IECSC
Inventori bahan kimia sing ana ing jeneng (s) jeneng China: FMOC-L-2-AMINO-5-Ureido-N-Valeric
Ringkesan Taiwan
Status Inventori ing TCSI Taiwan Goverette
Ringkesan Viet Nam
Status Inventori ing Vneci
Persediaan Kimia Vietnam Nasional