C20H21NO4 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(hydroxymethyl)-, 9H- fluoren-9-ylmethyl ester, (2S,4R)- (9CI, ACI)

Taarifa za Msingi:

Tutumie barua pepe

Maelezo ya Bidhaa

Lebo za Bidhaa

Tabia za kimwili

Sifa Muhimu za Kimwili	Thamani	Hali
Uzito wa Masi	339.39	-
Kiwango cha Kuchemka (Iliyotabiriwa)	549.8±40.0 °C	Bonyeza: 760 Torr
Msongamano (Uliotabiriwa)	1.318±0.06 g/cm3	Joto: 20 ° C; Bonyeza: 760 Torr
pKa (Iliyotabiriwa)	14.53±0.40	Halijoto ya Asidi Zaidi: 25 °C

Majina Mengine na Vitambulisho

TABASAMU za Kisheria 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)16-6-2-4-8-18(16)19/h1-8,13-14,19,22-23H,9-12
H2/t13-,14+/m0/s1
Ufunguo wa InChi
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Majina Mengine ya Dawa hii
1-Pyrrolidinecarboxylic acid, 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-Methanoli

Mali Zilizotabiriwa

Mali zinazopatikana

Kibiolojia

Kemikali

Msongamano

Lipinski

Kuhusiana na Muundo

Joto

Kibiolojia

Mali	Thamani	Hali	Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia	49.6	pH 1; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	49.6	pH 2; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	49.6	pH 3; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	49.6	pH 4; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	49.6	pH 5; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	49.6	pH 6; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	49.6	pH 7; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	49.6	pH 8; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	49.6	pH 9; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	49.6	pH 10; Joto: 25 °C	(1) ACD

Kemikali

Mali	Thamani	Hali	Chanzo
Koc	569	pH 1; Joto: 25 °C	(1) ACD
Koc	569	pH 2; Joto: 25 °C	(1) ACD
Koc	569	pH 3; Joto: 25 °C	(1) ACD
Koc	569	pH 4; Joto: 25 °C	(1) ACD
Koc	569	pH 5; Joto: 25 °C	(1) ACD
Koc	569	pH 6; Joto: 25 °C	(1) ACD
Koc	569	pH 7; Joto: 25 °C	(1) ACD
Koc	569	pH 8; Joto: 25 °C	(1) ACD
Koc	569	pH 9; Joto: 25 °C	(1) ACD
Koc	569	pH 10; Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
logD	2.53	pH 1; Joto: 25 °C	(1) ACD
logD	2.53	pH 2; Joto: 25 °C	(1) ACD
logD	2.53	pH 3; Joto: 25 °C	(1) ACD
logD	2.53	pH 4; Joto: 25 °C	(1) ACD
logD	2.53	pH 5; Joto: 25 °C	(1) ACD
logD	2.53	pH 6; Joto: 25 °C	(1) ACD
logD	2.53	pH 7; Joto: 25 °C	(1) ACD
logD	2.53	pH 8; Joto: 25 °C	(1) ACD
logD	2.53	pH 9; Joto: 25 °C	(1) ACD
logD	2.53	pH 10; Joto: 25 °C	(1) ACD
logP	2.534±0.636	Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Misa	0.078 g/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.078 g/L	pH 1; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.078 g/L	pH 2; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.078 g/L	pH 3; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.078 g/L	pH 4; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.078 g/L	pH 5; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.078 g/L	pH 6; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.078 g/L	pH 7; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.078 g/L	pH 8; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.078 g/L	pH 9; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.078 g/L	pH 10; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.078 g/L	Maji yasiyo na buffered pH 7.00; Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Molar	2.3 x 10-4 mol/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.3 x 10-4 mol/L	pH 1; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.3 x 10-4 mol/L	pH 2; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.3 x 10-4 mol/L	pH 3; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.3 x 10-4 mol/L	pH 4; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.3 x 10-4 mol/L	pH 5; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.3 x 10-4 mol/L	pH 6; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.3 x 10-4 mol/L	pH 7; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.3 x 10-4 mol/L	pH 8; Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa Molar	2.3 x 10-4 mol/L	pH 9; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.3 x 10-4 mol/L	pH 10; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.3 x 10-4 mol/L	Maji yasiyo na buffered pH 7.00; Joto: 25 °C	(1) ACD
Uzito wa Masi	339.39
pKa	14.53±0.40	Halijoto ya Asidi Zaidi: 25 °C	(1) ACD
pKa	-3.10±0.60	Joto la Msingi Zaidi: 25 °C	(1) ACD
Shinikizo la Mvuke	6.35 x 10-13 Torr	Joto: 25 °C	(1) ACD

Msongamano

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

Lipinski

Mali	Thamani	Hali	Chanzo
Vifungo vinavyoweza kuzungushwa kwa Uhuru	6		(1) ACD
H Wakubali	5		(1) ACD
H Wafadhili	2		(1) ACD
H Jumla ya Mfadhili/Mpokeaji	7		(1) ACD
logP	2.534±0.636	Joto: 25 °C	(1) ACD
Uzito wa Masi	339.39

Kuhusiana na Muundo

Mali	Thamani	Hali	Chanzo
Eneo la Uso wa Polar	70.0 A2	(1) ACD

Joto

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