C20H21NO4 1-PyrolidineCarbox Acid, 4-Hydroxy-2- (HydroxeThyl) --, 9-Fluoren-9-Ylmethyl Ester, (2s, 4r) - (9s, 4, ACI) featured ôfbylding

C20H21NO4 1-PyrolidineCarboxy Acid, 4-Hydroxy-2- (Hydroxymel) --, 9h-Fluoren-9-Ylmethyl Ester, (2s, 4r) - (9CI, ACI)

Basisynformaasje:

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Produkt detail

Produkt tags

Fysike eigenskippen

Kaai fysike eigenskippen	Wearde	Betingst
Molekulêr gewicht	339.39	-
Siedend punt (foarsizze)	549.8 ± 40,0 ° C	Parse: 760 Torr
Tichtheid (foarsizze)	1.318 ± 0,06 g / cm3	Temp: 20 ° C; Parse: 760 Torr
PKA (foarsizze)	14.53 ± 0,40	Meast Acidic Temp: 25 ° C

Oare nammen en identifisearders

Canonical Smiles O = c (Occ1c = 2c = cc = cc2c = 3c = cc = cc = CC31) N4CC (O) CC4CE
Isomeryske glimkes c (oc (= o) n1 [c @ h) c [c @@ H2) (O) c1) c2c = 3c (c = CC4) = CC = CC3
Inchi
Inchi = 1s / c20h21NO4 / c22-13-9-14 (23) 10-21 (13) 20 (24) 25-12-19-17-7-3-1-5-15 (17) 16-6-2-4-8.13-14,19,22-23h, 9-12
H2 / T13-, 14 + / M0 / S1
Inchi-kaai
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3 oare nammen foar dizze substansje
1-Pyrolidinecarboxylkeur, 4-hydroxy-2- (hydroxymelet) --, 9h-fluoren-9-Ylmethyl ester, (2s-trans) - (zci); 9h-Fluoren-9-Ylmethyl (2s, 4r) -4-Hydroxy-2- (Hydroxymeth) -1-Pyrolidinecarylboxybove (aci); (3r, 5s) -n-fmoc-3-hydroxypyrolidine-5-methanol

Foarsichtich eigenskippen

Eigenskippen beskikber

Biologysk

Gemysk

Densheid

Lipinski

Struktuer relatearre

Thermal

Biologysk

Besit	Wearde	Betingst	Boarne
Bioconcentration Factor	49.6	pH 1; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 2; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 3; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 4; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 5; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 6; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 7; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 8; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 9; Temp: 25 ° C	(1) ACD
Bioconcentration Factor	49.6	pH 10; Temp: 25 ° C	(1) ACD

Gemysk

Besit	Wearde	Betingst	Boarne
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

Besit	Wearde	Betingst	Boarne
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
Massa intrinsike oplosmiddel	0,078 g / l	Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,078 g / l	pH 1; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,078 g / l	pH 2; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,078 g / l	pH 3; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,078 g / l	pH 4; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,078 g / l	pH 5; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,078 g / l	pH 6; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,078 g / l	pH 7; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,078 g / l	pH 8; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,078 g / l	pH 9; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,078 g / l	pH 10; Temp: 25 ° C	(1) ACD
Massa-oplosberens	0,078 g / l	Unbuffered wetter Ph 7.00; Temp: 25 ° C	(1) ACD
Molêre yntrinsike oplosmiddel	2.3 x 10-4 mol / l	Temp: 25 ° C	(1) ACD
Milarlabiliteit	2.3 x 10-4 mol / l	pH 1; Temp: 25 ° C	(1) ACD
Milarlabiliteit	2.3 x 10-4 mol / l	pH 2; Temp: 25 ° C	(1) ACD
Milarlabiliteit	2.3 x 10-4 mol / l	pH 3; Temp: 25 ° C	(1) ACD
Milarlabiliteit	2.3 x 10-4 mol / l	pH 4; Temp: 25 ° C	(1) ACD
Milarlabiliteit	2.3 x 10-4 mol / l	pH 5; Temp: 25 ° C	(1) ACD
Milarlabiliteit	2.3 x 10-4 mol / l	pH 6; Temp: 25 ° C	(1) ACD
Milarlabiliteit	2.3 x 10-4 mol / l	pH 7; Temp: 25 ° C	(1) ACD
Milarlabiliteit	2.3 x 10-4 mol / l	pH 8; Temp: 25 ° C	(1) ACD

Besit	Wearde	Betingst	Boarne
Milarlabiliteit	2.3 x 10-4 mol / l	pH 9; Temp: 25 ° C	(1) ACD
Milarlabiliteit	2.3 x 10-4 mol / l	pH 10; Temp: 25 ° C	(1) ACD
Milarlabiliteit	2.3 x 10-4 mol / l	Unbuffered wetter Ph 7.00; Temp: 25 ° C	(1) ACD
Molekulêr gewicht	339.39
pka	14.53 ± 0,40	Meast Acidic Temp: 25 ° C	(1) ACD
pka	-3.10 ± 0,60	Meast basic temp: 25 ° C	(1) ACD
Dampdruk	6.35 X 10-13 Torr	Temp: 25 ° C	(1) ACD

Densheid

Besit	Wearde	Betingst	Boarne
Densheid	1.318 ± 0,06 g / cm3	Temp: 20 ° C; Parse: 760 Torr	(1) ACD
Molar volume	257.3 ± 3.0 CM3 / Mol	Temp: 20 ° C; Parse: 760 Torr	(1) ACD

Lipinski

Besit	Wearde	Betingst	Boarne
Frij rotatbere bonnen	6		(1) ACD
H akseptearders	5		(1) ACD
H Donors	2		(1) ACD
H Donor / akseptearje SUM	7		(1) ACD
Logp	2,534 ± 0.636	Temp: 25 ° C	(1) ACD
Molekulêr gewicht	339.39

Struktuer relatearre

Besit	Wearde	Betingst	Boarne
Polar oerflak	70,0 A2	(1) ACD

Thermal

Besit	Wearde	Betingst	Boarne
Siedpunt	549.8 ± 40,0 ° C	Parse: 760 Torr	(1) ACD
Enthalpy fan Vaporization	87.32 ± 3.0 kj / mol	Parse: 760 Torr	(1) ACD
Flash Point	286.3 ± 27,3 ° C		(1) ACD