C20H21NO4 1-pyrrolidinecarboxylic acid, 4-hydroxy-2- (hydroxymethyl)-, 9H- Fluoren-9-ylmethyl ester, (2s, 4r)-(9ci, ACI)

Habari ya kimsingi:

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Maelezo ya bidhaa

Vitambulisho vya bidhaa

Mali ya mwili

Sifa muhimu za mwili	Thamani	Hali
Uzito wa Masi	339.39	-
Kiwango cha kuchemsha (kilitabiriwa)	549.8 ± 40.0 ° C.	Bonyeza: 760 Torr
Uzani (uliotabiriwa)	1.318 ± 0.06 g/cm3	Temp: 20 ° C; Bonyeza: 760 Torr
PKA (alitabiri)	14.53 ± 0.40	Templeti nyingi za asidi: 25 ° C.

Majina mengine na vitambulisho

Tabasamu za Canonical O = C (OCC1C = 2C = CC = CC2C = 3C = 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 = CC3
Inchi
Inchi = 1S/C20H21NO4/C22-11-13-9-14 (23) 10-21 (13) 20 (24) 25-12-19-17-7-3-1-5-15 (17) 16-6-2-8-18 (16) 19/H1-8,13-14,19,223, 9
H2/T13-, 14+/M0/S1
Ufunguo wa Inchi
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Majina mengine 3 kwa dutu hii
1-pyrrolidinecarboxylic asidi, 4-hydroxy-2- (hydroxymethyl)-, 9H-fluoren-9-ylmethyl ester, (2S-trans)-(ZCI); 9H-Fluoren-9-ylmethyl (2S, 4R) -4-hydroxy-2- (hydroxymethyl) -1-pyrrolidinecarboxylate (ACI); (3R,5S)-N-Fmoc-3-Hydroxypyrrolidine-5-Methanol

Mali zilizotabiriwa

Mali inapatikana

Kibaolojia

Kemikali

Wiani

Lipinski

Muundo unaohusiana

Mafuta

Kibaolojia

Mali	Thamani	Hali	Chanzo
Sababu ya bioconcentration	49.6	pH 1; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	49.6	pH 2; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	49.6	pH 3; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	49.6	pH 4; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	49.6	pH 5; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	49.6	pH 6; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	49.6	pH 7; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	49.6	pH 8; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	49.6	pH 9; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	49.6	pH 10; Temp: 25 ° c	(1) ACD

Kemikali

Mali	Thamani	Hali	Chanzo
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

Mali	Thamani	Hali	Chanzo
logi	2.53	pH 1; Temp: 25 ° c	(1) ACD
logi	2.53	pH 2; Temp: 25 ° c	(1) ACD
logi	2.53	pH 3; Temp: 25 ° c	(1) ACD
logi	2.53	pH 4; Temp: 25 ° c	(1) ACD
logi	2.53	pH 5; Temp: 25 ° c	(1) ACD
logi	2.53	pH 6; Temp: 25 ° c	(1) ACD
logi	2.53	pH 7; Temp: 25 ° c	(1) ACD
logi	2.53	pH 8; Temp: 25 ° c	(1) ACD
logi	2.53	pH 9; Temp: 25 ° c	(1) ACD
logi	2.53	pH 10; Temp: 25 ° c	(1) ACD
Logp	2.534 ± 0.636	Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani	0.078 g/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.078 g/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.078 g/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.078 g/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.078 g/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.078 g/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.078 g/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.078 g/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.078 g/l	pH 8; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.078 g/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.078 g/l	pH 10; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	0.078 g/l	Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani wa molar	2.3 x 10-4 mol/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.3 x 10-4 mol/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.3 x 10-4 mol/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.3 x 10-4 mol/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.3 x 10-4 mol/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.3 x 10-4 mol/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.3 x 10-4 mol/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.3 x 10-4 mol/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.3 x 10-4 mol/l	pH 8; Temp: 25 ° c	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa molar	2.3 x 10-4 mol/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.3 x 10-4 mol/l	pH 10; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	2.3 x 10-4 mol/l	Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c	(1) ACD
Uzito wa Masi	339.39
PKA	14.53 ± 0.40	Templeti nyingi za asidi: 25 ° C.	(1) ACD
PKA	-3.10 ± 0.60	Muda wa msingi zaidi: 25 ° C.	(1) ACD
Shinikizo la mvuke	6.35 x 10-13 Torr	Temp: 25 ° c	(1) ACD

Wiani

Mali	Thamani	Hali	Chanzo
Wiani	1.318 ± 0.06 g/cm3	Temp: 20 ° C; Bonyeza: 760 Torr	(1) ACD
Kiasi cha molar	257.3 ± 3.0 cm3/mol	Temp: 20 ° C; Bonyeza: 760 Torr	(1) ACD

Lipinski

Mali	Thamani	Hali	Chanzo
Vifungo vya mzunguko wa bure	6		(1) ACD
Wapokeaji	5		(1) ACD
H wafadhili	2		(1) ACD
H wafadhili/jumla ya jumla	7		(1) ACD
Logp	2.534 ± 0.636	Temp: 25 ° c	(1) ACD
Uzito wa Masi	339.39

Muundo unaohusiana

Mali	Thamani	Hali	Chanzo
Eneo la uso wa polar	70.0 A2	(1) ACD

Mafuta

Mali	Thamani	Hali	Chanzo
Kiwango cha kuchemsha	549.8 ± 40.0 ° C.	Bonyeza: 760 Torr	(1) ACD
Enthalpy ya mvuke	87.32 ± 3.0 kJ/mol	Bonyeza: 760 Torr	(1) ACD
Kiwango cha Flash	286.3 ± 27.3 ° C.		(1) ACD