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

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

Mōhiohio Taketake:


Taipitopito Hua

Tohu Hua

Ngā āhuatanga ā-tinana

Nga Ahuatanga Tinana Matua Uara Tikanga
Taumaha rāpoi 397.43 -
Ira Kohua (I Matapaetia) 671.5±55.0 °C Perehi: 760 Torr
Kiato (I Matapaetia) 1.316±0.06 g/cm3 Te Mahana: 20 °C; Perehi: 760 Torr
pKa (I matapaetia) 3.84±0.21 Te Mahana Waiwawa Nui: 25 °C

Ētahi atu Ingoa me nga Kaitohu

Nga Ataata Canonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N

NGĀ ATA ISOMER 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

Kī InChI

NBMSMZSRTIOFOK-SFHVURJKSA-N

6 Ētahi atu Ingoa mō tēnei Matū

N5-(Aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine (ACI); (2S)-5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino)waikawa pentanoic; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)pentanoic acid; 218: PN: U S20070042401 PAGE: 29 i kiihia te pūmua; 909: PN: WO2006135786 PAGE: 59 i kii te pūmua; Fmoc-L-Citrulline

Spectra Whakamatau

Kei te waatea te Spectra
1H NMR
13C NMR
Mass

Nga Taonga Matapae

Nga rawa e waatea ana
Koiora
Te matū
Kiato
Lipinski
Hanganga e Pa ana
Ngawha

Koiora

Taonga Uara Tikanga Puna
Tauwehe Bioconcentration 54.3 pH 1; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 52.8 pH 2; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 40.0 pH 3; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 11.7 pH 4; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.45 pH 5; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 6; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 7; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 8; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 9; Te Mamahana: 25 °C (1) ACD
Tauwehe Bioconcentration 1.0 pH 10; Te Mamahana: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Te matū

Taonga Uara Tikanga Puna
Koc 606 pH 1; Te Mamahana: 25 °C (1) ACD
Koc 589 pH 2; Te Mamahana: 25 °C (1) ACD
Koc 446 pH 3; Te Mamahana: 25 °C (1) ACD
Koc 130 pH 4; Te Mamahana: 25 °C (1) ACD
Koc 16.2 pH 5; Te Mamahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Koc 1.76 pH 6; Te Mamahana: 25 °C (1) ACD
Koc 1.0 pH 7; Te Mamahana: 25 °C (1) ACD
Koc 1.0 pH 8; Te Mamahana: 25 °C (1) ACD
Koc 1.0 pH 9; Te Mamahana: 25 °C (1) ACD
Koc 1.0 pH 10; Te Mamahana: 25 °C (1) ACD
rangitakiD 2.59 pH 1; Te Mamahana: 25 °C (1) ACD
rangitakiD 2.57 pH 2; Te Mamahana: 25 °C (1) ACD
rangitakiD 2.45 pH 3; Te Mamahana: 25 °C (1) ACD
rangitakiD 1.92 pH 4; Te Mamahana: 25 °C (1) ACD
rangitakiD 1.01 pH 5; Te Mamahana: 25 °C (1) ACD
rangitakiD 0.05 pH 6; Te Mamahana: 25 °C (1) ACD
rangitakiD -0.76 pH 7; Te Mamahana: 25 °C (1) ACD
rangitakiD -1.10 pH 8; Te Mamahana: 25 °C (1) ACD
rangitakiD -1.15 pH 9; Te Mamahana: 25 °C (1) ACD
rangitakiD -1.16 pH 10; Te Mamahana: 25 °C (1) ACD
rangitakiP 2.591±0.426 Te Mamahana: 25 °C (1) ACD
Te Wairewa o roto 4.8 x 10-3 g/L Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 4.8 x 10-3 g/L pH 1; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 5.2 x 10-3 g/L pH 2; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 6.8 x 10-3 g/L pH 3; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.023 g/L pH 4; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.18 g/L pH 5; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 1.7 g/L pH 6; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 11 g/L pH 7; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 23 g/L pH 8; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 27 g/L pH 9; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 27 g/L pH 10; Te Mamahana: 25 °C (1) ACD
Wairewa Papatipu 0.032 g/L Te Wai Whakakore pH 4.18; Te Mamahana: 25 °C (1) ACD
Molar Intrinsic Solubility 1.2 x 10-5 mol/L Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.2 x 10-5 mol/L pH 1; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.3 x 10-5 mol/L pH 2; Te Mamahana: 25 °C (1) ACD
Molar Solubility 1.7 x 10-5 mol/L pH 3; Te Mamahana: 25 °C (1) ACD

 

Taonga Uara Tikanga Puna
Molar Solubility 5.7 x 10-5 mol/L pH 4; Te Mamahana: 25 °C (1) ACD
Molar Solubility 4.6 x 10-4 mol/L pH 5; Te Mamahana: 25 °C (1) ACD
Molar Solubility 4.2 x 10-3 mol/L pH 6; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.027 mol/L pH 7; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.059 mol/L pH 8; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.067 mol/L pH 9; Te Mamahana: 25 °C (1) ACD
Molar Solubility 0.068 mol/L pH 10; Te Mamahana: 25 °C (1) ACD
Molar Solubility 8.0 x 10-5 mol/L Te Wai Whakakore pH 4.18; Te Mamahana: 25 °C (1) ACD
Taumaha rāpoi 397.43    
pKa 3.84±0.21 Te Mahana Waiwawa Nui: 25 °C (1) ACD
pKa -0.21±0.70 Te Mahana Matua: 25 °C (1) ACD
Pehenga Kohu 6.01 x 10-19 Torr Te Mamahana: 25 °C (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Kiato

Taonga Uara Tikanga Puna
Kiato 1.316±0.06 g/cm3 Te Mahana: 20 °C; Perehi: 760 Torr (1) ACD
Rōrahi Moara 301.8±3.0 cm3/mol Te Mahana: 20 °C; Perehi: 760 Torr (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Taonga Uara Tikanga Puna
Nga here e taea te huri noa 9   (1) ACD
H Nga Kaiwhiwhi 8   (1) ACD
H Nga Kaituku 5   (1) ACD
H Tapeke Kaituku/Kaiwhiwhi 13   (1) ACD
rangitakiP 2.591±0.426 Te Mamahana: 25 °C (1) ACD
Taumaha rāpoi 397.43    

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Hanganga e Pa ana

Taonga Uara

Tikanga

Puna
Rohe Mata Polar 131 A2 (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Ngawha

Taonga Uara Tikanga Puna
Kohuatanga 671.5±55.0 °C Perehi: 760 Torr (1) ACD
Enthalpy of Vaporization 103.64±3.0 kJ/mol Perehi: 760 Torr (1) ACD
Tohu Kohiko 359.9±31.5 °C   (1) ACD

(1) I tatauhia ma te whakamahi i te Whanaketanga Matū Ake (ACD/Labs) Pūmanawa V11.02 (© 1994-2023 ACD/Labs)

Tohua Matapae

Kei te waatea te Spectra
1H NMR
13C NMR

Nga Korero Whakahaere

Rarangi Ture: IECSC, TCSI, VNECI Nga Korero Pakihi Matatapu: Te iwi

Ture Tauritenga
Fmoc-L-2-amino-5-ureido-n-valeric acid IECSC

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

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Nga Taipitopito Ma te Whenua/Ao me etahi atu Rarangi Momo Momo Whenua/Rohe E waatea ana

Haina Whakarāpopoto

Tūnga Inventory i runga i IECSC

Rangahau o nga matū matū kei roto i Haina kua whakarārangihia: Fmoc-L-2-amino-5-ureido-n-valeric acid

Taiwhanga Whakarāpopoto

Tūnga Inventory i runga i te TCSI Taiwan Government Gazette

Vietnam Whakarāpopototanga

Tūnga Inventory i runga i VNECI

Vietnam Draft National Chemical Inventory


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