C21H23N3O5 L-Ornithine, N5- (Aminocarbonyl) -N2 - [(9h-Fluoren-9-Ylmethosy) CarbonyL] - (9ci, aci)
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 |
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
Spectra te krijen
1h nmr
13C NMR
Mis
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)
Spectra te krijen
1h nmr
13C NMR
Registrearingslist: iecsc, TCSI, VNeci Fertroulike bedriuwsynformaasje: Publyk
Regulatory Synonyms | ||
FMC-L-2-AMINO-5-UREIDO-N-VALERIC ACID | Iecsc | - |
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