C21H23N3O5 L-ornitin, N5- (Aminocarbonyl) -N2-[(9H-Fluoren-9-ilmethoxy) carbonyl]-(9CI, ACI)
Kle pwopriyete fizik | Valè | Kondisyon |
Pwa molekilè | 397.43 | - |
Pwen bouyi (prevwa) | 671.5 ± 55.0 ° C | Peze: 760 Torr |
Dansite (prevwa) | 1.316 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
PKA (prevwa) | 3.84 ± 0.21 | Pifò asid tanperati: 25 ° C |
Souri kanonyal o = c (occ1c = 2c = cc = cc2c = 3c = cc = cc31) nc (c (= o) o) cccnc (= o) n
Isomeric Smiles C (OC (N [C @@ H] (CCCNC (N) = O) C (O) = O) = O) C1C = 2C (C = 3C1 = CC = CC3) = CC = CC2
Inchi
InChI=1S/C21H23N3O5/c22-20(27)23-11-5-10-18(19(25)26)24-21(28)29-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H, 5,10-12H2, (H, 24,28) (H, 25,26) (H3,22,23,27)/T18-/M0/S1
Inchi kle
Nbmsmzsrtiofok-sfhvurjksa-n
6 Lòt non pou sibstans sa a
N5- (Aminocarbonyl)-N2-[(9H-fluoren-9-ilmethoxy) carbonyl] -l-ornithine (ACI); (2s) -5- (carbamoylamino) -2- (9H-Fluoren-9-ilmethox ycarbonylamino) asid pentanoic; (2s) -5- (carbamoylamino) -2-([((9H-fluoren-9-il) metoksi] carbonyl] amino) pentanoic asid; 218: PN: U S20070042401 Paj: 29 Pwoteyin reklame; 909: PN: WO2006135786 Paj: 59 Pwoteyin reklame; FMOC-L-Citrulline
Spèktr ki disponib
1H NMR
13c NMR
Mas
Pwopriyete ki disponib |
Biolojik |
Chimik |
Densite |
Lipinski |
Estrikti ki gen rapò |
Tèmik |
Biolojik
Posesyon | Valè | Kondisyon | Sous |
Faktè bioconcentration | 54.3 | Ph 1; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 52.8 | pH 2; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 40.0 | pH 3; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 11.7 | pH 4; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 1.45 | pH 5; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 1.0 | pH 6; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 1.0 | pH 7; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 1.0 | pH 8; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 1.0 | pH 9; Tan: 25 ° C | (1) ACD |
Faktè bioconcentration | 1.0 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Chimik
Posesyon | Valè | Kondisyon | Sous |
Ka | 606 | Ph 1; Tan: 25 ° C | (1) ACD |
Ka | 589 | pH 2; Tan: 25 ° C | (1) ACD |
Ka | 446 | pH 3; Tan: 25 ° C | (1) ACD |
Ka | 130 | pH 4; Tan: 25 ° C | (1) ACD |
Ka | 16.2 | pH 5; Tan: 25 ° C | (1) ACD |
Posesyon | Valè | Kondisyon | Sous |
Ka | 1.76 | pH 6; Tan: 25 ° C | (1) ACD |
Ka | 1.0 | pH 7; Tan: 25 ° C | (1) ACD |
Ka | 1.0 | pH 8; Tan: 25 ° C | (1) ACD |
Ka | 1.0 | pH 9; Tan: 25 ° C | (1) ACD |
Ka | 1.0 | pH 10; Tan: 25 ° C | (1) ACD |
Logd | 2.59 | Ph 1; Tan: 25 ° C | (1) ACD |
Logd | 2.57 | pH 2; Tan: 25 ° C | (1) ACD |
Logd | 2.45 | pH 3; Tan: 25 ° C | (1) ACD |
Logd | 1.92 | pH 4; Tan: 25 ° C | (1) ACD |
Logd | 1.01 | pH 5; Tan: 25 ° C | (1) ACD |
Logd | 0.05 | pH 6; Tan: 25 ° C | (1) ACD |
Logd | -0.76 | pH 7; Tan: 25 ° C | (1) ACD |
Logd | -1.10 | pH 8; Tan: 25 ° C | (1) ACD |
Logd | -1.15 | pH 9; Tan: 25 ° C | (1) ACD |
Logd | -1.16 | pH 10; Tan: 25 ° C | (1) ACD |
logp | 2.591 ± 0.426 | Tan: 25 ° C | (1) ACD |
Mas solubilite intrinsèques | 4.8 x 10-3 g/l | Tan: 25 ° C | (1) ACD |
Mas solubility | 4.8 x 10-3 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
Mas solubility | 5.2 x 10-3 g/l | pH 2; Tan: 25 ° C | (1) ACD |
Mas solubility | 6.8 x 10-3 g/l | pH 3; Tan: 25 ° C | (1) ACD |
Mas solubility | 0.023 g/l | pH 4; Tan: 25 ° C | (1) ACD |
Mas solubility | 0.18 g/l | pH 5; Tan: 25 ° C | (1) ACD |
Mas solubility | 1.7 g/l | pH 6; Tan: 25 ° C | (1) ACD |
Mas solubility | 11 g/l | pH 7; Tan: 25 ° C | (1) ACD |
Mas solubility | 23 g/l | pH 8; Tan: 25 ° C | (1) ACD |
Mas solubility | 27 g/l | pH 9; Tan: 25 ° C | (1) ACD |
Mas solubility | 27 g/l | pH 10; Tan: 25 ° C | (1) ACD |
Mas solubility | 0.032 g/l | PH dlo unbuffered 4.18; Tan: 25 ° C | (1) ACD |
Molar intrinsèques solubility | 1.2 x 10-5 mol/l | Tan: 25 ° C | (1) ACD |
Solubilite molè | 1.2 x 10-5 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
Solubilite molè | 1.3 x 10-5 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
Solubilite molè | 1.7 x 10-5 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
Posesyon | Valè | Kondisyon | Sous |
Solubilite molè | 5.7 x 10-5 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
Solubilite molè | 4.6 x 10-4 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
Solubilite molè | 4.2 x 10-3 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
Solubilite molè | 0.027 mol/L | pH 7; Tan: 25 ° C | (1) ACD |
Solubilite molè | 0.059 mol/L | pH 8; Tan: 25 ° C | (1) ACD |
Solubilite molè | 0.067 mol/L | pH 9; Tan: 25 ° C | (1) ACD |
Solubilite molè | 0.068 mol/L | pH 10; Tan: 25 ° C | (1) ACD |
Solubilite molè | 8.0 x 10-5 mol/l | PH dlo unbuffered 4.18; Tan: 25 ° C | (1) ACD |
Pwa molekilè | 397.43 | ||
pka | 3.84 ± 0.21 | Pifò asid tanperati: 25 ° C | (1) ACD |
pka | -0.21 ± 0.70 | Pifò debaz tanperati: 25 ° C | (1) ACD |
Presyon vapè | 6.01 x 10-19 Torr | Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Densite
Posesyon | Valè | Kondisyon | Sous |
Densite | 1.316 ± 0.06 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
Volim molè | 301.8 ± 3.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Lipinski
Posesyon | Valè | Kondisyon | Sous |
Lib lib wotasyon | 9 | (1) ACD | |
H akseptab | 8 | (1) ACD | |
H donatè | 5 | (1) ACD | |
H donatè/aksepte sòm | 13 | (1) ACD | |
logp | 2.591 ± 0.426 | Tan: 25 ° C | (1) ACD |
Pwa molekilè | 397.43 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
Posesyon | Valè | Kondisyon | Sous |
Zòn sifas polè | 131 A2 | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Tèmik
Posesyon | Valè | Kondisyon | Sous |
Pwen bouyi | 671.5 ± 55.0 ° C | Peze: 760 Torr | (1) ACD |
Enthalpy nan vaporizasyon | 103.64 ± 3.0 kJ/mol | Peze: 760 Torr | (1) ACD |
Pwen flash | 359.9 ± 31.5 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1H NMR
13c NMR
Lis regilasyon: IECSC, TCSI, VNECI Enfòmasyon sou Biznis Konfidansyèl: Piblik
Sinonim regilasyon | ||
FMOC-L-2-Amino-5-Ureido-N-Valeric Asid | IECSC | - |
L-ornitin, N5- (Aminocarbonyl) -N2-[(9h-fluoren-9-ilmethoxy) carbonyl]- | TCSI, VNECI | - |
Detay pa Peyi/Entènasyonal & Lòt Lis Peyi/Rejyon Enfòmasyon ki disponib
Rezime Lachin
Estati envantè sou IECSC
Envantè nan sibstans chimik ki egziste deja nan Lachin ki nan lis non (yo): FMOC-L-2-Amino-5-Ureido-N-Valeric asid
Rezime Taiwan
Envantè estati sou TCSI Taiwan Gouvènman Gazette
Vyetnam Rezime
Estati envantè sou vneci
Vyetnam Draft Envantè Chimik Nasyonal la