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

imveliso

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

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iimpawu ezibonakalayo

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 Eyona Temp iAcidic Temp: 25 °C

Amanye Amagama kunye neZazi

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 yoMfuniselo

ISpectra ekhoyo
1H NMR
13C NMR
IMisa

Iipropati eziqikelelweyo

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 Eyona Temp iAcidic 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 eqikelelweyo

ISpectra ekhoyo
1H NMR
13C NMR

Ulwazi loLawulo

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


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