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

vokatra

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

Fampahafantarana fototra:


Product Detail

Tags vokatra

Toetra ara-batana

Toetra ara-batana fototra sarobidy toe-javatra
Lanja molekiola 397.43 -
Teboka mangotraka (voavinavina) 671,5±55,0 °C Press: 760 Torr
Density (voavinavina) 1,316±0,06 g/cm3 Mafana: 20 °C; Press: 760 Torr
pKa (voavinavina) 3.84±0.21 Mafana asidra indrindra: 25 °C

Anarana sy famantarana hafa

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

SMILES Isomerik 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 Anarana hafa ho an'ity akora ity

N5-(Aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine (ACI); (2S)-5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino)asidra pentanoika; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)asid pentanoika; 218: PN: U S20070042401 PEJY: 29 milaza proteinina; 909: PN: WO2006135786 PEJY: 59 milaza proteinina; Fmoc-L-Citrulline

Spectra andrana

Spectra misy
1H NMR
13C NMR
-bahoaka

Properties vinavinaina

Properties misy
niteraka
simika
hakitroky
Lipinski
Structure Related
mafana

niteraka

NY FANANANA sarobidy toe-javatra Source
Bioconcentration Factor 54.3 pH 1; Mafana: 25 °C (1) ACD
Bioconcentration Factor 52.8 pH 2; Mafana: 25 °C (1) ACD
Bioconcentration Factor 40.0 pH 3; Mafana: 25 °C (1) ACD
Bioconcentration Factor 11.7 pH 4; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.45 pH 5; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 6; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 7; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 8; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 9; Mafana: 25 °C (1) ACD
Bioconcentration Factor 1.0 pH 10; Mafana: 25 °C (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

simika

NY FANANANA sarobidy toe-javatra Source
Koc 606 pH 1; Mafana: 25 °C (1) ACD
Koc 589 pH 2; Mafana: 25 °C (1) ACD
Koc 446 pH 3; Mafana: 25 °C (1) ACD
Koc 130 pH 4; Mafana: 25 °C (1) ACD
Koc 16.2 pH 5; Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Koc 1.76 pH 6; Mafana: 25 °C (1) ACD
Koc 1.0 pH 7; Mafana: 25 °C (1) ACD
Koc 1.0 pH 8; Mafana: 25 °C (1) ACD
Koc 1.0 pH 9; Mafana: 25 °C (1) ACD
Koc 1.0 pH 10; Mafana: 25 °C (1) ACD
logD 2.59 pH 1; Mafana: 25 °C (1) ACD
logD 2.57 pH 2; Mafana: 25 °C (1) ACD
logD 2.45 pH 3; Mafana: 25 °C (1) ACD
logD 1.92 pH 4; Mafana: 25 °C (1) ACD
logD 1.01 pH 5; Mafana: 25 °C (1) ACD
logD 0.05 pH 6; Mafana: 25 °C (1) ACD
logD -0.76 pH 7; Mafana: 25 °C (1) ACD
logD -1.10 pH 8; Mafana: 25 °C (1) ACD
logD -1.15 pH 9; Mafana: 25 °C (1) ACD
logD -1.16 pH 10; Mafana: 25 °C (1) ACD
logP 2,591±0,426 Mafana: 25 °C (1) ACD
Faobe Intrinsic Solubility 4,8 x 10-3 g/L Mafana: 25 °C (1) ACD
Mass Solubility 4,8 x 10-3 g/L pH 1; Mafana: 25 °C (1) ACD
Mass Solubility 5,2 x 10-3 g/L pH 2; Mafana: 25 °C (1) ACD
Mass Solubility 6,8 x 10-3 g/L pH 3; Mafana: 25 °C (1) ACD
Mass Solubility 0,023 g/L pH 4; Mafana: 25 °C (1) ACD
Mass Solubility 0,18 g/L pH 5; Mafana: 25 °C (1) ACD
Mass Solubility 1,7 g/L pH 6; Mafana: 25 °C (1) ACD
Mass Solubility 11 g/L pH 7; Mafana: 25 °C (1) ACD
Mass Solubility 23 g/L pH 8; Mafana: 25 °C (1) ACD
Mass Solubility 27 g/L pH 9; Mafana: 25 °C (1) ACD
Mass Solubility 27 g/L pH 10; Mafana: 25 °C (1) ACD
Mass Solubility 0,032 g/L Rano tsy voatsindrona pH 4.18; Mafana: 25 °C (1) ACD
Molar intrinsic solubility 1,2 x 10-5 mol/L Mafana: 25 °C (1) ACD
Molar Solubility 1,2 x 10-5 mol/L pH 1; Mafana: 25 °C (1) ACD
Molar Solubility 1,3 x 10-5 mol/L pH 2; Mafana: 25 °C (1) ACD
Molar Solubility 1,7 x 10-5 mol/L pH 3; Mafana: 25 °C (1) ACD

 

NY FANANANA sarobidy toe-javatra Source
Molar Solubility 5,7 x 10-5 mol/L pH 4; Mafana: 25 °C (1) ACD
Molar Solubility 4,6 x 10-4 mol/L pH 5; Mafana: 25 °C (1) ACD
Molar Solubility 4,2 x 10-3 mol/L pH 6; Mafana: 25 °C (1) ACD
Molar Solubility 0,027 mol/L pH 7; Mafana: 25 °C (1) ACD
Molar Solubility 0,059 mol/L pH 8; Mafana: 25 °C (1) ACD
Molar Solubility 0,067 mol/L pH 9; Mafana: 25 °C (1) ACD
Molar Solubility 0,068 mol/L pH 10; Mafana: 25 °C (1) ACD
Molar Solubility 8,0 x 10-5 mol/L Rano tsy voatsindrona pH 4.18; Mafana: 25 °C (1) ACD
Lanja molekiola 397.43    
pKa 3.84±0.21 Mafana asidra indrindra: 25 °C (1) ACD
pKa -0,21±0,70 Ny mari-pana fototra indrindra: 25 °C (1) ACD
Fanerena ny etona 6.01 x 10-19 Torr Mafana: 25 °C (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

hakitroky

NY FANANANA sarobidy toe-javatra Source
hakitroky 1,316±0,06 g/cm3 Mafana: 20 °C; Press: 760 Torr (1) ACD
Boky molar 301.8±3.0 cm3/mol Mafana: 20 °C; Press: 760 Torr (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

NY FANANANA sarobidy toe-javatra Source
Fatorana azo ahodina malalaka 9   (1) ACD
H Acceptors 8   (1) ACD
H Mpanome 5   (1) ACD
H Donor/Acceptor Sum 13   (1) ACD
logP 2,591±0,426 Mafana: 25 °C (1) ACD
Lanja molekiola 397.43    

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Structure Related

NY FANANANA sarobidy

toe-javatra

Source
Faritra ambonin'ny polar 131 A2 (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

mafana

NY FANANANA sarobidy toe-javatra Source
Teboka mangotraka 671,5±55,0 °C Press: 760 Torr (1) ACD
Enthalpy de evaporation 103,64±3,0 kJ/mol Press: 760 Torr (1) ACD
Flash point 359,9±31,5 °C   (1) ACD

(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra vinavina

Spectra misy
1H NMR
13C NMR

Fampahalalana mifehy

Lisitra mifehy: IECSC, TCSI, VNECI Confidential Business Information: Public

Regulatory Synonyms
Fmoc-L-2-amino-5-ureido-n-valeric asidra IECSC

-

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

-

Ny antsipirihan'ny firenena/Iraisam-pirenena & Lisitry ny Firenena/Faritra hafa misy

China Summary

Satan'ny fitahirizana ao amin'ny IECSC

Ny lisitry ny akora simika misy ao Shina: Fmoc-L-2-amino-5-ureido-n-valeric acid

Taiwan Summary

Satan'ny fitahirizana ao amin'ny TCSI Taiwan Government Gazette

Viet Nam Summary

Satan'ny fitahirizana ao amin'ny VNECI

Vietnam Draft National Chemical Inventory


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