C41H39NO6 1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S,4R)- (9 CI, 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	641.75	-
Kiwango cha Kuchemka (Iliyotabiriwa)	768.7±60.0 °C	Bonyeza: 760 Torr
Msongamano (Uliotabiriwa)	1.237±0.06 g/cm3	Joto: 20 ° C;Bonyeza: 760 Torr
pKa (Iliyotabiriwa)	14.50±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)CC4COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC =C(OC)C=C7
Isomeric SMILES C(OC[C@H]1N(C(OCC2C=3C(C=4C2=CC=CC4)=CC=CC3)=O)C[C@H](O)C1)(C5=CC= C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7
InChI
InChI=1S/C41H39NO6/c1-45-33-20-16-29(17-21-33)41(28-10-4-3-5-11-28,30-18-22-34(46-) 2)23-19-30)48-26-31-24-32(43)25-42(31)40( 44)47-27-39-37-14-8-6-12-35(37) 36-13-7-9-15-38(36)39/h3-23,31-32,39,43H,24-27H2,1-2H3/t31-,32+/m0/s1
Ufunguo wa InChi
QPXSKGJQEBDWES-AJQTZOPKSA-N
2 Majina Mengine ya Dawa hii
1-Pyrrolidinecarboxylic acid, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2S-trans)- (ZCI);9H-Fluoren-9-ylmethyl (2S,4R) -2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-1-pyrrolidinecarboxylate (ACI)

Mali Zilizotabiriwa

Mali zinazopatikana

Kibiolojia

Kemikali

Msongamano

Lipinski

Kuhusiana na Muundo

Joto

Kibiolojia

Mali	Thamani	Hali	Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 1;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 2;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 3;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 4;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 5;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 6;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 7;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 8;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 9;Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.00 x 106	pH 10;Joto: 25 °C	(1) ACD

Kemikali

Mali	Thamani	Hali	Chanzo
Koc	7.70 x 105	pH 1;Joto: 25 °C	(1) ACD
Koc	7.70 x 105	pH 2;Joto: 25 °C	(1) ACD
Koc	7.70 x 105	pH 3;Joto: 25 °C	(1) ACD
Koc	7.70 x 105	pH 4;Joto: 25 °C	(1) ACD
Koc	7.70 x 105	pH 5;Joto: 25 °C	(1) ACD
Koc	7.70 x 105	pH 6;Joto: 25 °C	(1) ACD
Koc	7.70 x 105	pH 7;Joto: 25 °C	(1) ACD
Koc	7.70 x 105	pH 8;Joto: 25 °C	(1) ACD
Koc	7.70 x 105	pH 9;Joto: 25 °C	(1) ACD
Koc	7.70 x 105	pH 10;Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
logD	8.29	pH 1;Joto: 25 °C	(1) ACD
logD	8.29	pH 2;Joto: 25 °C	(1) ACD
logD	8.29	pH 3;Joto: 25 °C	(1) ACD
logD	8.29	pH 4;Joto: 25 °C	(1) ACD
logD	8.29	pH 5;Joto: 25 °C	(1) ACD
logD	8.29	pH 6;Joto: 25 °C	(1) ACD
logD	8.29	pH 7;Joto: 25 °C	(1) ACD
logD	8.29	pH 8;Joto: 25 °C	(1) ACD
logD	8.29	pH 9;Joto: 25 °C	(1) ACD
logD	8.29	pH 10;Joto: 25 °C	(1) ACD
logP	8.289±0.729	Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Misa	4.7 x 10-6 g/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.7 x 10-6 g/L	pH 1;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.7 x 10-6 g/L	pH 2;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.7 x 10-6 g/L	pH 3;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.7 x 10-6 g/L	pH 4;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.7 x 10-6 g/L	pH 5;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.7 x 10-6 g/L	pH 6;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.7 x 10-6 g/L	pH 7;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.7 x 10-6 g/L	pH 8;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.7 x 10-6 g/L	pH 9;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.7 x 10-6 g/L	pH 10;Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.7 x 10-6 g/L	Maji yasiyo na buffered pH 7.00;Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Molar	7.3 x 10-9 mol/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.3 x 10-9 mol/L	pH 1;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.3 x 10-9 mol/L	pH 2;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.3 x 10-9 mol/L	pH 3;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.3 x 10-9 mol/L	pH 4;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.3 x 10-9 mol/L	pH 5;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.3 x 10-9 mol/L	pH 6;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.3 x 10-9 mol/L	pH 7;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.3 x 10-9 mol/L	pH 8;Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa Molar	7.3 x 10-9 mol/L	pH 9;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.3 x 10-9 mol/L	pH 10;Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.3 x 10-9 mol/L	Maji yasiyo na buffered pH 7.00;Joto: 25 °C	(1) ACD
Uzito wa Masi	641.75
pKa	14.50±0.40	Halijoto ya Asidi Zaidi: 25 °C	(1) ACD
pKa	-3.24±0.60	Joto la Msingi Zaidi: 25 °C	(1) ACD
Shinikizo la Mvuke	7.42 x 10-25 Torr	Joto: 25 °C	(1) ACD

Msongamano

Mali	Thamani	Hali	Chanzo
Msongamano	1.237±0.06 g/cm3	Joto: 20 ° C;Bonyeza: 760 Torr	(1) ACD
Kiasi cha Molar	518.4±3.0 cm3/mol	Joto: 20 ° C;Bonyeza: 760 Torr	(1) ACD

Lipinski

Mali	Thamani	Hali	Chanzo
Vifungo vinavyoweza kuzungushwa kwa Uhuru	12		(1) ACD
H Wakubali	7		(1) ACD
H Wafadhili	1		(1) ACD
H Jumla ya Mfadhili/Mpokeaji	8		(1) ACD
logP	8.289±0.729	Joto: 25 °C	(1) ACD
Uzito wa Masi	641.75

Kuhusiana na Muundo

Mali	Thamani	Hali	Chanzo
Eneo la Uso wa Polar	77.5 A2	(1) ACD

Joto

Mali	Thamani	Hali	Chanzo
Kuchemka	768.7±60.0 °C	Bonyeza: 760 Torr	(1) ACD
Enthalpy ya vaporization	117.42±3.0 kJ/mol	Bonyeza: 760 Torr	(1) ACD
Kiwango cha Kiwango	418.7±32.9 °C		(1) ACD