C20H21NO4 1-pyrrolidinecarboxylic asid, 4-hydroxy-2- (hydroxymethyl) -, 9h- fluoren-9-ylmethyl ester, (2s, 4r) - (9ci, aci)
Fananana ara-batana lehibe | sarobidy | toe-javatra |
Lanjan'ny molekiola | 339.39 | - |
Mangotraka (nambara) | 549.8 ± 40.0 ° C | Press: 760 Torr |
Fahalemena (nambara) | 1.318 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr |
PKA (nambara) | 14.53 ± 0.40 | Ankamaroan'ny temps temp: 25 ° C |
Kanonical smiles o = c (occ1c = 2c = CC = CC2c = 3C = CC = CC = CC31) N4CC (O) CC4CO
ISOMERIC SMILES C (OC (= O) N1 [C @ h] (CO) C [C @@ H] (O) C1) C2C = 3C (C = 4C2 = CC = CC4) = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC = CC3
Inchi
Inchi = 1s / c20H21no4 / c22-11-13-9-14 (23) 10-21 (13) 20-11-19-17-7-3-19-17-7-3-15-8-18 (16) 19 / h1-8,15-14,19,22-23h, 9-12
H2 / t13-, 14 + / M0 / S1
Inchi Key
Scxxardqpgzaju-uonogxrcsa-n
3 anarana hafa ho an'ity zavatra ity
1-pyrrolidinecarboxic asidra, 4-hydroxy-2- (hydroxymethyl) -, 9h-fluoren-9-ylmethyl ester, (2s-trans) - (ZCI); 9h-fluoren-9-ylmethyl (2s, 4r) -4r) -4-hydroxy-2- (hydroxymethyl) -1-pyrolidinecarboxyate (Aci); (3r, 5s) -n-fmoc-3-hydroxyprolidine-5-methanol
Fananana misy |
niteraka |
simika |
hakitroky |
Lipinski |
Mifandraika mifandraika |
mafana |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Factor Bioconcentration | 49.6 | PH 1; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 49.6 | PH 2; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 49.6 | PH 3; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 49.6 | PH 4; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 49.6 | PH 5; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 49.6 | PH 6; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 49.6 | PH 7; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 49.6 | PH 8; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 49.6 | PH 9; Temp: 25 ° C | (1) ACD |
Factor Bioconcentration | 49.6 | PH 10; Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
simika
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 569 | PH 1; Temp: 25 ° C | (1) ACD |
Koc | 569 | PH 2; Temp: 25 ° C | (1) ACD |
Koc | 569 | PH 3; Temp: 25 ° C | (1) ACD |
Koc | 569 | PH 4; Temp: 25 ° C | (1) ACD |
Koc | 569 | PH 5; Temp: 25 ° C | (1) ACD |
Koc | 569 | PH 6; Temp: 25 ° C | (1) ACD |
Koc | 569 | PH 7; Temp: 25 ° C | (1) ACD |
Koc | 569 | PH 8; Temp: 25 ° C | (1) ACD |
Koc | 569 | PH 9; Temp: 25 ° C | (1) ACD |
Koc | 569 | PH 10; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
LogD | 2.53 | PH 1; Temp: 25 ° C | (1) ACD |
LogD | 2.53 | PH 2; Temp: 25 ° C | (1) ACD |
LogD | 2.53 | PH 3; Temp: 25 ° C | (1) ACD |
LogD | 2.53 | PH 4; Temp: 25 ° C | (1) ACD |
LogD | 2.53 | PH 5; Temp: 25 ° C | (1) ACD |
LogD | 2.53 | PH 6; Temp: 25 ° C | (1) ACD |
LogD | 2.53 | PH 7; Temp: 25 ° C | (1) ACD |
LogD | 2.53 | PH 8; Temp: 25 ° C | (1) ACD |
LogD | 2.53 | PH 9; Temp: 25 ° C | (1) ACD |
LogD | 2.53 | PH 10; Temp: 25 ° C | (1) ACD |
Logp | 2.534 ± 0.636 | Temp: 25 ° C | (1) ACD |
Solondrailala an-tsokosoko | 0.078 G / L | Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.078 G / L | PH 1; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.078 G / L | PH 2; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.078 G / L | PH 3; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.078 G / L | PH 4; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.078 G / L | PH 5; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.078 G / L | PH 6; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.078 G / L | PH 7; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.078 G / L | PH 8; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.078 G / L | PH 9; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.078 G / L | PH 10; Temp: 25 ° C | (1) ACD |
Supubility Mass | 0.078 G / L | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Movra intrinsic solubility | 2.3 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.3 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.3 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.3 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.3 x 10-4 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.3 x 10-4 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.3 x 10-4 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.3 x 10-4 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.3 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 2.3 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.3 x 10-4 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
Molar Solubility | 2.3 x 10-4 mol / l | PH 7 7,00; Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 339.39 | ||
pka | 14.53 ± 0.40 | Ankamaroan'ny temps temp: 25 ° C | (1) ACD |
pka | -3.10 ± 0.60 | Ny ankamaroan'ny Temp: 25 ° C | (1) ACD |
Ny tsindry vapor | 6.35 x 10-13 Torr | Temp: 25 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
hakitroky
NY FANANANA | sarobidy | toe-javatra | Source |
hakitroky | 1.318 ± 0.06 g / cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
Molar volume | 257.3 ± 3.0 cm3 / mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Lipinski
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana rotatateble malalaka | 6 | (1) ACD | |
H Mpanaja | 5 | (1) ACD | |
H mpamatsy vola | 2 | (1) ACD | |
H Donor / Accas Sum | 7 | (1) ACD | |
Logp | 2.534 ± 0.636 | Temp: 25 ° C | (1) ACD |
Lanjan'ny molekiola | 339.39 |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Mifandraika mifandraika
NY FANANANA | sarobidy | toe-javatra | Source |
Faritra misy polar | 70.0 A2 | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
mafana
NY FANANANA | sarobidy | toe-javatra | Source |
Mangotraka | 549.8 ± 40.0 ° C | Press: 760 Torr | (1) ACD |
Enthhalpy ny vaporization | 87.32 ± 3.0 KJ / Mol | Press: 760 Torr | (1) ACD |
Flash point | 286.3 ± 27.3 ° C | (1) ACD |
(1) kajy amin'ny fampandrosoana ny simika Advanced (ACD / Labs) rindrambaiko V11.02 (© 1994-2023 ACD / Labs)
Spectra misy
1H NMR
13c NMR