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

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

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Cikakken Bayani

Tags samfurin

Kaddarorin jiki

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 397.43 -
Wurin tafasa (An annabta) 671.5±55.0 °C Latsa: 760 Torr
Girma (An annabta) 1.316 ± 0.06 g/cm3 Zazzabi: 20 ° C; Latsa: 760 Torr
pKa (An annabta) 3.84± 0.21 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCCNC(=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 Key

NBMSMZSRTIOFOK-SFHVURJKSA-N

6 Wasu Sunaye na wannan Abu

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 SHAFI: 29 da'awar furotin; 909: PN: WO2006135786 SHAFI: 59 da'awar furotin; Fmoc-L-Citrulline

Spectra na Gwaji

Spectra akwai
1H NMR
13C NMR
Mass

Kayayyakin Hasashen

Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi
Thermal

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 54.3 pH da 1; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 52.8 pH da 2; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 40.0 pH da 3; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 11.7 pH da 4; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.45 pH da 5; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH da 6; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH da 7; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH da 8; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH da 9; Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.0 pH 10; Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Dukiya Daraja Sharadi Source
Koc 606 pH da 1; Zazzabi: 25 ° C (1) ACD
Koc 589 pH da 2; Zazzabi: 25 ° C (1) ACD
Koc 446 pH da 3; Zazzabi: 25 ° C (1) ACD
Koc 130 pH da 4; Zazzabi: 25 ° C (1) ACD
Koc 16.2 pH da 5; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Koc 1.76 pH da 6; Zazzabi: 25 ° C (1) ACD
Koc 1.0 pH da 7; Zazzabi: 25 ° C (1) ACD
Koc 1.0 pH da 8; Zazzabi: 25 ° C (1) ACD
Koc 1.0 pH da 9; Zazzabi: 25 ° C (1) ACD
Koc 1.0 pH 10; Zazzabi: 25 ° C (1) ACD
logD 2.59 pH da 1; Zazzabi: 25 ° C (1) ACD
logD 2.57 pH da 2; Zazzabi: 25 ° C (1) ACD
logD 2.45 pH da 3; Zazzabi: 25 ° C (1) ACD
logD 1.92 pH da 4; Zazzabi: 25 ° C (1) ACD
logD 1.01 pH da 5; Zazzabi: 25 ° C (1) ACD
logD 0.05 pH da 6; Zazzabi: 25 ° C (1) ACD
logD -0.76 pH da 7; Zazzabi: 25 ° C (1) ACD
logD -1.10 pH da 8; Zazzabi: 25 ° C (1) ACD
logD -1.15 pH da 9; Zazzabi: 25 ° C (1) ACD
logD -1.16 pH 10; Zazzabi: 25 ° C (1) ACD
logP 2.591± 0.426 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 4.8 x 10-3 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 4.8 x 10-3 g/L pH da 1; Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.2 x 10-3 g/L pH da 2; Zazzabi: 25 ° C (1) ACD
Mass Solubility 6.8 x 10-3 g/L pH da 3; Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.023 g/L pH da 4; Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.18 g/L pH da 5; Zazzabi: 25 ° C (1) ACD
Mass Solubility 1.7 g/L pH da 6; Zazzabi: 25 ° C (1) ACD
Mass Solubility 11 g/l pH da 7; Zazzabi: 25 ° C (1) ACD
Mass Solubility 23 g/l pH da 8; Zazzabi: 25 ° C (1) ACD
Mass Solubility 27 g/l pH da 9; Zazzabi: 25 ° C (1) ACD
Mass Solubility 27 g/l pH 10; Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.032 g/L Ruwan da ba a buƙata ba pH 4.18; Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 1.2 x 10-5 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.2 x 10-5 mol/L pH da 1; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.3 x 10-5 mol/L pH da 2; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.7 x 10-5 mol/L pH da 3; Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Solubility na Molar 5.7 x 10-5 mol/L pH da 4; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.6 x 10-4 mol/L pH da 5; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 4.2 x 10-3 mol/L pH da 6; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.027 mol/L pH da 7; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.059 mol/L pH da 8; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.067 mol/L pH da 9; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 0.068 mol/L pH 10; Zazzabi: 25 ° C (1) ACD
Solubility na Molar 8.0 x 10-5 mol/L Ruwan da ba a buƙata ba pH 4.18; Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 397.43    
pKa 3.84± 0.21 Mafi yawan zafin jiki: 25 ° C (1) ACD
pKa -0.21 ± 0.70 Mafi Asalin Zazzabi: 25 ° C (1) ACD
Ruwan Ruwa 6.01 x 10-19 Torr Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Yawan yawa

Dukiya Daraja Sharadi Source
Yawan yawa 1.316 ± 0.06 g/cm3 Zazzabi: 20 ° C; Latsa: 760 Torr (1) ACD
Ƙarar Molar 301.8± 3.0 cm3/mol Zazzabi: 20 ° C; Latsa: 760 Torr (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Dukiya Daraja Sharadi Source
Ƙimar Rarraba Kyauta 9   (1) ACD
H Masu karɓa 8   (1) ACD
H Masu Ba da taimako 5   (1) ACD
H Donor/Acceptor Sum 13   (1) ACD
logP 2.591± 0.426 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 397.43    

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Tsarin Yanayi

Dukiya Daraja

Sharadi

Source
Wuri Mai Girma 131 A2 (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Thermal

Dukiya Daraja Sharadi Source
Wurin Tafasa 671.5±55.0 °C Latsa: 760 Torr (1) ACD
Enthalpy na Vaporization 103.64± 3.0 kJ/mol Latsa: 760 Torr (1) ACD
Wurin Flash 359.9± 31.5 °C   (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra da aka annabta

Spectra akwai
1H NMR
13C NMR

Bayanan Gudanarwa

Jerin Ka'idoji: IECSC, TCSI, VNECI Bayanan Kasuwanci na Sirri: Jama'a

Ma'anar Daidaitawa
Fmoc-L-2-amino-5-ureido-n-valeric acid IECSC

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

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Cikakkun bayanai ta Ƙasa/Ƙasashen Duniya & Sauran Bayanan Ƙasa/Yanki Akwai

Takaitacciyar Kasar Sin

Matsayin Inventory akan IECSC

Ƙididdiga na Abubuwan Sinadarai da suka wanzu a cikin Sunan (s): Fmoc-L-2-amino-5-ureido-n-valeric acid

Takaitaccen tarihin Taiwan

Matsayin Inventory on TCSI Taiwan Government Gazette

Takaitattun Labarai na Vietnam

Matsayin Inventory akan VNECI

Vietnam Draft National Chemical Inventory


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