C21H23N3O5 L-Ornithine, N5- (Aminocarbonyl) -N2 - [(9h-Fluoren-9-Ylmethosy) CarbonyL] - (9ci, aci)

produkt

C21H23N3O5 L-Ornithine, N5- (Aminocarbonyl) -N2 - [(9h-Fluoren-9-Ylmethosy) CarbonyL] - (9ci, aci)

Basisynformaasje:


Produkt detail

Produkt tags

Fysike eigenskippen

Kaai fysike eigenskippen Wearde Betingst
Molekulêr gewicht 397.43 -
Siedend punt (foarsizze) 671.5 ± 55,,, c Parse: 760 Torr
Tichtheid (foarsizze) 1.316 ± 0,06 G / CM3 Temp: 20 ° C; Parse: 760 Torr
PKA (foarsizze) 3.84 ± 0.21 Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Kanonyske glimkes o = c (occ1c = 2c = cc = cc = cc = CC = CC = CC31) NC (c (= o) o) CCCNC (= o) n

Isomeryske glimket c (oc (n [c [c @@) (cccnc (n) = o) c (o) = o) = 2 c1c = 2c (c = cc3) = cc = cc2

Inchi

Inchi = 1s / c21h23n3o5 / c22-20 (27) 23-11-20 (27) 26) 24-21 (28) 29-12-25-8-16-13 (15) 14-1-4-9-16 (14) 14 / H1-4,6-9,17-18h, 5.10-12H2, (H, 24,28) (h, 25,26) (h3,22,23,27) / t18- / m0 / s1

Inchi-kaai

Nbmsmzsrtiofok-sfhvurjksa-n

6 oare nammen foar dizze substansje

N5- (Aminocarbonyl) -N2 - [(9H-Fluoren-9-ylmethoxy) carbonyl] -l-ornithine (aci); (2s) -5- (Carbamoylamino) -2- (9H-fluoRen-9-ylmethox yckarybino) pentanoic acid; (2s) -5- (CarbamoYlamino) -2 - ([[(9 (9H-flooren-9-yl) methoxy] carbonyl] amino) pentanoic acid; 218: PN: U S20070042401 Side: 29 easke proteïne; 909: PN: Wo2006135786 Side: 59 easke proteïne; FMOC-L-CITRULLINE

Eksperimintele spektra

Spectra te krijen
1h nmr
13C NMR
Mis

Foarsichtich eigenskippen

Eigenskippen beskikber
Biologysk
Gemysk
Densheid
Lipinski
Struktuer relatearre
Thermal

Biologysk

Besit Wearde Betingst Boarne
Bioconcentration Factor 54.3 pH 1; Temp: 25 ° C (1) ACD
Bioconcentration Factor 52.8 pH 2; Temp: 25 ° C (1) ACD
Bioconcentration Factor 40.0 pH 3; Temp: 25 ° C (1) ACD
Bioconcentration Factor 11.7 pH 4; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.45 pH 5; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 6; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 7; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 8; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 9; Temp: 25 ° C (1) ACD
Bioconcentration Factor 1.0 pH 10; Temp: 25 ° C (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Gemysk

Besit Wearde Betingst Boarne
Koc 606 pH 1; Temp: 25 ° C (1) ACD
Koc 589 pH 2; Temp: 25 ° C (1) ACD
Koc 446 pH 3; Temp: 25 ° C (1) ACD
Koc 130 pH 4; Temp: 25 ° C (1) ACD
Koc 16.2 pH 5; Temp: 25 ° C (1) ACD

 

Besit Wearde Betingst Boarne
Koc 1.76 pH 6; Temp: 25 ° C (1) ACD
Koc 1.0 pH 7; Temp: 25 ° C (1) ACD
Koc 1.0 pH 8; Temp: 25 ° C (1) ACD
Koc 1.0 pH 9; Temp: 25 ° C (1) ACD
Koc 1.0 pH 10; Temp: 25 ° C (1) ACD
Logd 2.59 pH 1; Temp: 25 ° C (1) ACD
Logd 2.57 pH 2; Temp: 25 ° C (1) ACD
Logd 2.45 pH 3; Temp: 25 ° C (1) ACD
Logd 1.92 pH 4; Temp: 25 ° C (1) ACD
Logd 1.01 pH 5; Temp: 25 ° C (1) ACD
Logd 0,05 pH 6; Temp: 25 ° C (1) ACD
Logd -0.76 pH 7; Temp: 25 ° C (1) ACD
Logd -1.10 pH 8; Temp: 25 ° C (1) ACD
Logd -1.15 pH 9; Temp: 25 ° C (1) ACD
Logd -1.16 pH 10; Temp: 25 ° C (1) ACD
Logp 2,591 ± 0.426 Temp: 25 ° C (1) ACD
Massa intrinsike oplosmiddel 4,8 x 10-3 G / L Temp: 25 ° C (1) ACD
Massa-oplosberens 4,8 x 10-3 G / L pH 1; Temp: 25 ° C (1) ACD
Massa-oplosberens 5,2 x 10-3 g / L pH 2; Temp: 25 ° C (1) ACD
Massa-oplosberens 6,8 x 10-3 G / L pH 3; Temp: 25 ° C (1) ACD
Massa-oplosberens 0,023 g / l pH 4; Temp: 25 ° C (1) ACD
Massa-oplosberens 0.18 g / l pH 5; Temp: 25 ° C (1) ACD
Massa-oplosberens 1,7 g / l pH 6; Temp: 25 ° C (1) ACD
Massa-oplosberens 11 g / l pH 7; Temp: 25 ° C (1) ACD
Massa-oplosberens 23 g / l pH 8; Temp: 25 ° C (1) ACD
Massa-oplosberens 27 G / L pH 9; Temp: 25 ° C (1) ACD
Massa-oplosberens 27 G / L pH 10; Temp: 25 ° C (1) ACD
Massa-oplosberens 0.032 g / l Unbuffered Water Ph 4.18; Temp: 25 ° C (1) ACD
Molêre yntrinsike oplosmiddel 1.2 X 10-5 Mol / L Temp: 25 ° C (1) ACD
Milarlabiliteit 1.2 X 10-5 Mol / L pH 1; Temp: 25 ° C (1) ACD
Milarlabiliteit 1.3 x 10-5 mol / l pH 2; Temp: 25 ° C (1) ACD
Milarlabiliteit 1,7 x 10-5 mol / l pH 3; Temp: 25 ° C (1) ACD

 

Besit Wearde Betingst Boarne
Milarlabiliteit 5,7 x 10-5 mol / L pH 4; Temp: 25 ° C (1) ACD
Milarlabiliteit 4.6 x 10-4 Mol / L pH 5; Temp: 25 ° C (1) ACD
Milarlabiliteit 4.2 x 10-3 Mol / L pH 6; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,027 mol / l pH 7; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,059 mol / l pH 8; Temp: 25 ° C (1) ACD
Milarlabiliteit 0.067 Mol / L pH 9; Temp: 25 ° C (1) ACD
Milarlabiliteit 0,068 mol / l pH 10; Temp: 25 ° C (1) ACD
Milarlabiliteit 8.0 x 10-5 mol / L Unbuffered Water Ph 4.18; Temp: 25 ° C (1) ACD
Molekulêr gewicht 397.43    
pka 3.84 ± 0.21 Meast Acidic Temp: 25 ° C (1) ACD
pka -0,21 ± 0,70 Meast basic temp: 25 ° C (1) ACD
Dampdruk 6.01 X 10-19 Torr Temp: 25 ° C (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Densheid

Besit Wearde Betingst Boarne
Densheid 1.316 ± 0,06 G / CM3 Temp: 20 ° C; Parse: 760 Torr (1) ACD
Molar volume 301.8 ± 3.0 cm3 / mol Temp: 20 ° C; Parse: 760 Torr (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Lipinski

Besit Wearde Betingst Boarne
Frij rotatbere bonnen 9   (1) ACD
H akseptearders 8   (1) ACD
H Donors 5   (1) ACD
H Donor / akseptearje SUM 13   (1) ACD
Logp 2,591 ± 0.426 Temp: 25 ° C (1) ACD
Molekulêr gewicht 397.43    

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Struktuer relatearre

Besit Wearde

Betingst

Boarne
Polar oerflak 131 A2 (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Thermal

Besit Wearde Betingst Boarne
Siedpunt 671.5 ± 55,,, c Parse: 760 Torr (1) ACD
Enthalpy fan Vaporization 103.64 ± 3.0 kj / mol Parse: 760 Torr (1) ACD
Flash Point 359.9 ± 31,5 ° C   (1) ACD

(1) Berekkene mei avansearre Chemy Untwikkeling (ACD / Labs) Software V11.02 (© 1994-2023 ACD / Labs)

Foarseine spektra

Spectra te krijen
1h nmr
13C NMR

Regulatoryynformaasje

Registrearingslist: iecsc, TCSI, VNeci Fertroulike bedriuwsynformaasje: Publyk

Regulatory Synonyms
FMC-L-2-AMINO-5-UREIDO-N-VALERIC ACID Iecsc

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L-Ornithine, N5- (Aminocarbony) -N2 - [(9h-fluoren-9-ylmethoxy) carbonyl] - TCSI, Vneci

-

Details per lân / Ynternasjonaal en oare listen Lân / Regio ynformaasje beskikber

China Gearfetting

Ynventarisaasje status op iecsc

Ynventarisaasje fan besteande gemyske stoffen yn Sina neamd namme (s): FMOC-L-2-AMINO-5-UREIDO-N-VALERIC ACID

Taiwan gearfetting

Ynventarisaasje status op TCSI Taiwan regear Gazette

Gearfetting Viet Nam

Ynventarisaasje status op VNeci

Fietnam dracht Nasjonale gemyske ynventarisaasje


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