C21H23N3O5 L-Ornithine, N5- (Aminocarbonyl) -N2-[(9H-Fluoren-9-ylmethoxy) carbonyl]-(9ci, ACI)
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 397.43 | - |
Kiwango cha kuchemsha (kilitabiriwa) | 671.5 ± 55.0 ° C. | Bonyeza: 760 Torr |
Uzani (uliotabiriwa) | 1.316 ± 0.06 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
PKA (alitabiri) | 3.84 ± 0.21 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical 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, 14, 14-9, 5,10-12H2, (H, 24,28) (H, 25,26) (H3,22,23,27)/T18-/M0/S1
Ufunguo wa Inchi
Nbmsmzsrtiofok-sfhvurjksa-n
Majina mengine 6 kwa dutu hii
N5- (aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl] -l-ornithine (ACI); (2s) -5- (carbamoylamino) -2- (9H-fluoren-9-ylmethox ycarbonylamino) asidi ya pentanoic; (2s) -5- (carbamoylamino) -2-([[(9H-fluoren-9-yl) methoxy] carbonyl] amino) asidi ya pentanoic; 218: PN: U S20070042401 Ukurasa: 29 protini iliyodaiwa; 909: PN: WO2006135786 Ukurasa: 59 protini iliyodaiwa; FMOC-l-citrulline
Spectra inapatikana
1H NMR
13C NMR
Misa
Mali inapatikana |
Kibaolojia |
Kemikali |
Wiani |
Lipinski |
Muundo unaohusiana |
Mafuta |
Kibaolojia
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 54.3 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 52.8 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 40.0 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 11.7 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.45 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.0 | pH 10; Temp: 25 ° c | (1) ACD |
.
Kemikali
Mali | Thamani | Hali | Chanzo |
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 |
Mali | Thamani | Hali | Chanzo |
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 |
logi | 2.59 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 2.57 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 2.45 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 1.92 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 1.01 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 0.05 | pH 6; Temp: 25 ° c | (1) ACD |
logi | -0.76 | pH 7; Temp: 25 ° c | (1) ACD |
logi | -1.10 | pH 8; Temp: 25 ° c | (1) ACD |
logi | -1.15 | pH 9; Temp: 25 ° c | (1) ACD |
logi | -1.16 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 2.591 ± 0.426 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 4.8 x 10-3 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 4.8 x 10-3 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.2 x 10-3 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 6.8 x 10-3 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.023 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.18 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.7 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 11 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 23 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 27 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 27 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 0.032 g/l | Maji yasiyokuwa na maji pH 4.18; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 1.2 x 10-5 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.2 x 10-5 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.3 x 10-5 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 1.7 x 10-5 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa molar | 5.7 x 10-5 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.6 x 10-4 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 4.2 x 10-3 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.027 mol/L. | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.059 mol/L. | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.067 mol/L. | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 0.068 mol/L. | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 8.0 x 10-5 mol/l | Maji yasiyokuwa na maji pH 4.18; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 397.43 | ||
PKA | 3.84 ± 0.21 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
PKA | -0.21 ± 0.70 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
Shinikizo la mvuke | 6.01 x 10-19 Torr | Temp: 25 ° c | (1) ACD |
.
Wiani
Mali | Thamani | Hali | Chanzo |
Wiani | 1.316 ± 0.06 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha molar | 301.8 ± 3.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 9 | (1) ACD | |
Wapokeaji | 8 | (1) ACD | |
H wafadhili | 5 | (1) ACD | |
H wafadhili/jumla ya jumla | 13 | (1) ACD | |
Logp | 2.591 ± 0.426 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 397.43 |
.
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Eneo la uso wa polar | 131 A2 | (1) ACD |
.
Mafuta
Mali | Thamani | Hali | Chanzo |
Kiwango cha kuchemsha | 671.5 ± 55.0 ° C. | Bonyeza: 760 Torr | (1) ACD |
Enthalpy ya mvuke | 103.64 ± 3.0 kJ/mol | Bonyeza: 760 Torr | (1) ACD |
Kiwango cha Flash | 359.9 ± 31.5 ° C. | (1) ACD |
.
Spectra inapatikana
1H NMR
13C NMR
Orodha ya Udhibiti: IECSC, TCSI, Habari ya Biashara ya VNECI: Umma
Visawe vya kisheria | ||
FMOC-l-2-amino-5-ureido-n-valeric acid | IECSC | - |
L-ornithine, n5- (aminocarbonyl) -N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- | Tcsi, vneci | - |
Maelezo ya Nchi/Kimataifa na orodha zingine za Nchi/Mkoa unapatikana
Muhtasari wa China
Hali ya hesabu kwenye IECSC
Mali ya dutu zilizopo za kemikali nchini China zilizoorodheshwa jina: FMOC-L-2-Amino-5-Ureido-N-Valeric Acid
Muhtasari wa Taiwan
Hali ya hesabu kwenye Gazeti la Serikali ya TCSI Taiwan
Muhtasari wa Viet Nam
Hali ya hesabu kwenye VNECI
Rasimu ya Vietnam Rasimu ya Kitaifa ya Kemikali