C20H21NO4 1-pyrrolidinecarboxylic asid, 4-hydroxy-2- (hydroxymethyl) -, 9h- fluoren-9-ylmethyl ester, (2s, 4r) - (9ci, aci)

vokatra

C20H21NO4 1-pyrrolidinecarboxylic asid, 4-hydroxy-2- (hydroxymethyl) -, 9h- fluoren-9-ylmethyl ester, (2s, 4r) - (9ci, aci)

Fampahalalana fototra:


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Product Tags

Toetra ara-batana

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

Anarana sy mpanabe hafa

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

Ny fananana mialoha

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)

Pressed spectra

Spectra misy
1H NMR
13c NMR


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