C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
Ubunzima beMolekyuli | 397.43 | - |
Indawo yokuBila (Kuqikelelwe) | 671.5±55.0 °C | Cinezela: 760 Torr |
Ukuxinana (Kuqikelelwe) | 1.316±0.06 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr |
pKa (Kuxelwe kwangaphambili) | 3.84±0.21 | Owona bushushu be-Acidic Temp: 25 °C |
Uncumo lweCanonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
Isomeric Uncumo 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
Isitshixo se-InchI
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Amanye Amagama ale nto
N5-(Aminocarbonyl)-N2 - [(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine (ACI); (2S)-5-(Carbamoylamino)-2-(9H-i-fluoren-9-ylmethox ycarbonylamino)i-pentanoic acid; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)pentanoic acid; 218: PN: U S20070042401 IPHEPHA: 29 ibango leprotein; 909: PN: WO2006135786 IPHEPHA: 59 ibango leproteni; Fmoc-L-Citrulline
ISpectra ekhoyo
1H NMR
13C NMR
IMisa
Iipropati ezikhoyo |
Ibhayoloji |
Ikhemikhali |
Ukuxinana |
Lipinski |
Ulwakhiwo olunxulumeneyo |
Thermal |
Ibhayoloji
Ipropati | Ixabiso | Imeko | Umthombo |
I-Bioconcentration Factor | 54.3 | pH 1; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 52.8 | pH 2; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 40.0 | pH 3; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 11.7 | pH 4; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.45 | pH 5; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 6; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 7; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 8; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 9; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 1.0 | pH 10; Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ikhemikhali
Ipropati | Ixabiso | Imeko | Umthombo |
Koc | 606 | pH 1; Ubushushu: 25 °C | (1) ACD |
Koc | 589 | pH 2; Ubushushu: 25 °C | (1) ACD |
Koc | 446 | pH 3; Ubushushu: 25 °C | (1) ACD |
Koc | 130 | pH 4; Ubushushu: 25 °C | (1) ACD |
Koc | 16.2 | pH 5; Ubushushu: 25 °C | (1) ACD |
Ipropati | Ixabiso | Imeko | Umthombo |
Koc | 1.76 | pH 6; Ubushushu: 25 °C | (1) ACD |
Koc | 1.0 | pH 7; Ubushushu: 25 °C | (1) ACD |
Koc | 1.0 | pH 8; Ubushushu: 25 °C | (1) ACD |
Koc | 1.0 | pH 9; Ubushushu: 25 °C | (1) ACD |
Koc | 1.0 | pH 10; Ubushushu: 25 °C | (1) ACD |
logD | 2.59 | pH 1; Ubushushu: 25 °C | (1) ACD |
logD | 2.57 | pH 2; Ubushushu: 25 °C | (1) ACD |
logD | 2.45 | pH 3; Ubushushu: 25 °C | (1) ACD |
logD | 1.92 | pH 4; Ubushushu: 25 °C | (1) ACD |
logD | 1.01 | pH 5; Ubushushu: 25 °C | (1) ACD |
logD | 0.05 | pH 6; Ubushushu: 25 °C | (1) ACD |
logD | -0.76 | pH 7; Ubushushu: 25 °C | (1) ACD |
logD | -1.10 | pH 8; Ubushushu: 25 °C | (1) ACD |
logD | -1.15 | pH 9; Ubushushu: 25 °C | (1) ACD |
logD | -1.16 | pH 10; Ubushushu: 25 °C | (1) ACD |
logP | 2.591±0.426 | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMass Intrinsic | 4.8 x 10-3 g/L | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 4.8 x 10-3 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 5.2 x 10-3 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 6.8 x 10-3 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 0.023 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 0.18 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 1.7 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 11 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 23 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 27 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 27 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 0.032 g/L | Amanzi angaphazanyiswanga pH 4.18; Ubushushu: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 1.2 x 10-5 mol/L | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.2 x 10-5 mol/L | pH 1; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.3 x 10-5 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.7 x 10-5 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
Ipropati | Ixabiso | Imeko | Umthombo |
Ukunyibilika kweMolar | 5.7 x 10-5 mol / L | pH 4; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 4.6 x 10-4 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 4.2 x 10-3 mol / L | pH 6; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.027 mol/L | pH 7; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.059 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.067 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 0.068 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 8.0 x 10-5 mol/L | Amanzi angaphazanyiswanga pH 4.18; Ubushushu: 25 °C | (1) ACD |
Ubunzima beMolekyuli | 397.43 | ||
pKa | 3.84±0.21 | Owona bushushu be-Acidic Temp: 25 °C | (1) ACD |
pKa | -0.21±0.70 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
Uxinzelelo lomphunga | 6.01 x 10-19 Torr | Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ukuxinana
Ipropati | Ixabiso | Imeko | Umthombo |
Ukuxinana | 1.316±0.06 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
Umthamo weMolar | 301.8±3.0 cm3/mol | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Ipropati | Ixabiso | Imeko | Umthombo |
Iibhondi eziGuquguqukayo ngokukhululekileyo | 9 | (1) ACD | |
H Abamkeli | 8 | (1) ACD | |
H Abaxhasi | 5 | (1) ACD | |
H Umnikeli/uMamkeli Isambuku | 13 | (1) ACD | |
logP | 2.591±0.426 | Ubushushu: 25 °C | (1) ACD |
Ubunzima beMolekyuli | 397.43 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ulwakhiwo olunxulumeneyo
Ipropati | Ixabiso | Imeko | Umthombo |
Indawo yePolar Surface | 131 A2 | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Thermal
Ipropati | Ixabiso | Imeko | Umthombo |
Indawo yokubilisa | 671.5±55.0 °C | Cinezela: 760 Torr | (1) ACD |
I-Enthalpy yoMphunga | 103.64±3.0 kJ/mol | Cinezela: 760 Torr | (1) ACD |
Indawo yokuflasha | 359.9±31.5 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1H NMR
13C NMR
ULuhlu oluLawulayo: I-IECSC, i-TCSI, i-VNECI iNgcaciso yoShishino oluyiMfihlo: Uluntu
Izithethantonye ezilawulayo | ||
I-Fmoc-L-2-amino-5-ureido-n-valeric acid | IECSC | - |
L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Iinkcukacha ngokweLizwe/Izizwe ngezizwe kunye nolunye uluhlu lweeNkcukacha zeLizwe/INgingqi ezifumanekayo
China Isishwankathelo
Ubume be-Inventory kwi-IECSC
Uluhlu lweMichiza ekhoyo ekhoyo eTshayina Amagama adwelisiweyo: Fmoc-L-2-amino-5-ureido-n-valeric acid
Isishwankathelo saseTaiwan
Ubume be-Inventory kwi-TCSI Taiwan Government Gazette
Isishwankathelo saseVietnam
Ubume be-Inventory kwi-VNECI
I-Vietnam Draft yeNational Chemical Inventory