C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)

umkhiqizo

C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Izici ezingokomzimba

Izici Zomzimba Eziyinhloko Inani Isimo
Isisindo samangqamuzana 397.43 -
Iphoyinti lokubilisa (elibikezelwe) 671.5±55.0 °C Cindezela: 760 Torr
Ukuminyana (Kubikezelwe) 1.316±0.06 g/cm3 Izinga lokushisa: 20 °C; Cindezela: 760 Torr
pKa (Kubikezelwe) 3.84±0.21 Izinga Le-Acidic Elikhulu: 25 °C

Amanye Amagama Nezihlonzi

I-Canonical AMAMOTHEKA O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N

I-Isomeric SMILES C(OC(N[C@@H](CCCNC(N)=O)C(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2

I-InChI

I-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

Ukhiye we-InchI

NBMSMZSRTIOFOK-SFHVURJKSA-N

6 Amanye Amagama Alesi Sitho

N5-(Aminocarbonyl)-N2- [(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine (ACI); (2S)-5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino)pentanoic acid; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)pentanoic acid; 218: PN: U S20070042401 IKHASI: 29 amaprotheni afunwayo; 909: PN: WO2006135786 IKHASI: 59 amaprotheni afunwayo; I-Fmoc-L-Citrulline

I-Spectra yokuhlola

I-Spectra iyatholakala
1H NMR
13C NMR
IMisa

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Ukuminyana
I-Lipinski
Okuhlobene Nesakhiwo
Okushisayo

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 54.3 pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 52.8 pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 40.0 i-pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 11.7 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.45 pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.0 pH 10; Izinga lokushisa: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Amakhemikhali

Impahla Inani Isimo Umthombo
Koc 606 pH 1; Izinga lokushisa: 25 °C (1) ACD
Koc 589 pH 2; Izinga lokushisa: 25 °C (1) ACD
Koc 446 i-pH 3; Izinga lokushisa: 25 °C (1) ACD
Koc 130 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
Koc 16.2 pH 5; Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
Koc 1.76 pH 6; Izinga lokushisa: 25 °C (1) ACD
Koc 1.0 pH 7; Izinga lokushisa: 25 °C (1) ACD
Koc 1.0 pH 8; Izinga lokushisa: 25 °C (1) ACD
Koc 1.0 pH 9; Izinga lokushisa: 25 °C (1) ACD
Koc 1.0 pH 10; Izinga lokushisa: 25 °C (1) ACD
logD 2.59 pH 1; Izinga lokushisa: 25 °C (1) ACD
logD 2.57 pH 2; Izinga lokushisa: 25 °C (1) ACD
logD 2.45 i-pH 3; Izinga lokushisa: 25 °C (1) ACD
logD 1.92 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
logD 1.01 pH 5; Izinga lokushisa: 25 °C (1) ACD
logD 0.05 pH 6; Izinga lokushisa: 25 °C (1) ACD
logD -0.76 pH 7; Izinga lokushisa: 25 °C (1) ACD
logD -1.10 pH 8; Izinga lokushisa: 25 °C (1) ACD
logD -1.15 pH 9; Izinga lokushisa: 25 °C (1) ACD
logD -1.16 pH 10; Izinga lokushisa: 25 °C (1) ACD
logP 2.591±0.426 Izinga lokushisa: 25 °C (1) ACD
I-Mass Intrinsic Solubility 4.8 x 10-3 g/L Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 4.8 x 10-3 g/L pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 5.2 x 10-3 g/L pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 6.8 x 10-3 g/L i-pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 0.023 g/L i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 0.18 g/L pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.7 g/L pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 11 g/L pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 23 g/L pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 27g/L pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 27g/L pH 10; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 0.032 g/L Amanzi Angahlutshiwe pH 4.18; Izinga lokushisa: 25 °C (1) ACD
I-Molar Intrinsic Solubility 1.2 x 10-5 mol/L Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.2 x 10-5 mol/L pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.3 x 10-5 mol/L pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 1.7 x 10-5 mol/L i-pH 3; Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
I-Molar Solubility 5.7 x 10-5 mol/L i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 4.6 x 10-4 mol/L pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 4.2 x 10-3 mol/L pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.027 mol/L pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.059 mol/L pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.067 mol/L pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 0.068 mol/L pH 10; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 8.0 x 10-5 mol/L Amanzi Angahlutshiwe pH 4.18; Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 397.43    
pKa 3.84±0.21 Izinga Le-Acidic Elikhulu: 25 °C (1) ACD
pKa -0.21±0.70 Izinga Lokushisa Eziyisisekelo: 25 °C (1) ACD
I-Vapor Pressure 6.01 x 10-19 Torr Izinga lokushisa: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ukuminyana

Impahla Inani Isimo Umthombo
Ukuminyana 1.316±0.06 g/cm3 Izinga lokushisa: 20 °C; Cindezela: 760 Torr (1) ACD
Ivolumu ye-Molar 301.8±3.0 cm3/mol Izinga lokushisa: 20 °C; Cindezela: 760 Torr (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Lipinski

Impahla Inani Isimo Umthombo
Amabhondi Ashintshashintshayo Ngokukhululekile 9   (1) ACD
H Abamukelayo 8   (1) ACD
H Abanikeli 5   (1) ACD
H Isamba Somnikeli/Umamukeli 13   (1) ACD
logP 2.591±0.426 Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 397.43    

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Okuhlobene Nesakhiwo

Impahla Inani

Isimo

Umthombo
Indawo ye-Polar Surface 131 A2 (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Okushisayo

Impahla Inani Isimo Umthombo
Iphuzu elibilayo 671.5±55.0 °C Cindezela: 760 Torr (1) ACD
I-Enthalpy ye-Vaporization 103.64±3.0 kJ/mol Cindezela: 760 Torr (1) ACD
I-Flash Point 359.9±31.5 °C   (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Spectra ebikezelwe

I-Spectra iyatholakala
1H NMR
13C NMR

Ulwazi Lokulawula

Uhlu Lokulawula: I-IECSC, TCSI, VNECI Ulwazi Lwebhizinisi Oluyimfihlo: Esidlangalaleni

Omqondofana Okulawula
I-Fmoc-L-2-amino-5-ureido-n-valeric acid I-IECSC

-

I-L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- TCSI, VNECI

-

Imininingwane Yezwe/Amazwe Nolunye Uhlu Ulwazi Lwezwe/Isifunda Olutholakalayo

China Isifinyezo

Isimo se-Inventory ku-IECSC

Uhlu Lwamakhemikhali Akhona E-China Amagama Asohlwini: Fmoc-L-2-amino-5-ureido-n-valeric acid

Isifinyezo sase-Taiwan

Isimo se-Inventory ku-TCSI Taiwan Government Gazette

Isifinyezo sase-Viet Nam

Isimo se-Inventory ku-VNECI

I-Vietnam Draft National Chemical Inventory


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