C41H39NO6 1-pyrrolidinecarboxylic acid, 2-[[bis (4-methoxyphenyl) phenylm ethoxy] methyl] -4-hydroxy-, 9H-fluoren-9-ylmethyl ester, (2s, 4r)-(9 CI, ACI)

Habari ya kimsingi:

Tuma barua pepe kwetu

Maelezo ya bidhaa

Vitambulisho vya bidhaa

Mali ya mwili

Sifa muhimu za mwili	Thamani	Hali
Uzito wa Masi	641.75	-
Kiwango cha kuchemsha (kilitabiriwa)	768.7 ± 60.0 ° C.	Bonyeza: 760 Torr
Uzani (uliotabiriwa)	1.237 ± 0.06 g/cm3	Temp: 20 ° C; Bonyeza: 760 Torr
PKA (alitabiri)	14.50 ± 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) 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) CC = C7 = C7 C7 = C7 C7 = C7 C7 = C = C7 C7 = C = 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 (46-25 (46-42 (46-24-4-4-4-4-42 (46. 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-ajqtzopsa-n
Majina mengine 2 kwa dutu 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 inapatikana

Kibaolojia

Kemikali

Wiani

Lipinski

Muundo unaohusiana

Mafuta

Kibaolojia

Mali	Thamani	Hali	Chanzo
Sababu ya bioconcentration	1.00 x 106	pH 1; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 2; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 3; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 4; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 5; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 6; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 7; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 8; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 9; Temp: 25 ° c	(1) ACD
Sababu ya bioconcentration	1.00 x 106	pH 10; Temp: 25 ° c	(1) ACD

Kemikali

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

Mali	Thamani	Hali	Chanzo
logi	8.29	pH 1; Temp: 25 ° c	(1) ACD
logi	8.29	pH 2; Temp: 25 ° c	(1) ACD
logi	8.29	pH 3; Temp: 25 ° c	(1) ACD
logi	8.29	pH 4; Temp: 25 ° c	(1) ACD
logi	8.29	pH 5; Temp: 25 ° c	(1) ACD
logi	8.29	pH 6; Temp: 25 ° c	(1) ACD
logi	8.29	pH 7; Temp: 25 ° c	(1) ACD
logi	8.29	pH 8; Temp: 25 ° c	(1) ACD
logi	8.29	pH 9; Temp: 25 ° c	(1) ACD
logi	8.29	pH 10; Temp: 25 ° c	(1) ACD
Logp	8.289 ± 0.729	Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani	4.7 x 10-6 g/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	4.7 x 10-6 g/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	4.7 x 10-6 g/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	4.7 x 10-6 g/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	4.7 x 10-6 g/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	4.7 x 10-6 g/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	4.7 x 10-6 g/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	4.7 x 10-6 g/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	4.7 x 10-6 g/l	pH 8; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	4.7 x 10-6 g/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	4.7 x 10-6 g/l	pH 10; Temp: 25 ° c	(1) ACD
Umumunyifu wa wingi	4.7 x 10-6 g/l	Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c	(1) ACD
Umumunyifu wa ndani wa molar	7.3 x 10-9 mol/l	Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	7.3 x 10-9 mol/l	pH 1; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	7.3 x 10-9 mol/l	pH 2; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	7.3 x 10-9 mol/l	pH 3; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	7.3 x 10-9 mol/l	pH 4; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	7.3 x 10-9 mol/l	pH 5; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	7.3 x 10-9 mol/l	pH 6; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	7.3 x 10-9 mol/l	pH 7; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	7.3 x 10-9 mol/l	pH 8; Temp: 25 ° c	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa molar	7.3 x 10-9 mol/l	pH 9; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	7.3 x 10-9 mol/l	pH 10; Temp: 25 ° c	(1) ACD
Umumunyifu wa molar	7.3 x 10-9 mol/l	Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c	(1) ACD
Uzito wa Masi	641.75
PKA	14.50 ± 0.40	Templeti nyingi za asidi: 25 ° C.	(1) ACD
PKA	-3.24 ± 0.60	Muda wa msingi zaidi: 25 ° C.	(1) ACD
Shinikizo la mvuke	7.42 x 10-25 Torr	Temp: 25 ° c	(1) ACD

Wiani

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

Lipinski

Mali	Thamani	Hali	Chanzo
Vifungo vya mzunguko wa bure	12		(1) ACD
Wapokeaji	7		(1) ACD
H wafadhili	1		(1) ACD
H wafadhili/jumla ya jumla	8		(1) ACD
Logp	8.289 ± 0.729	Temp: 25 ° c	(1) ACD
Uzito wa Masi	641.75

Muundo unaohusiana

Mali	Thamani	Hali	Chanzo
Eneo la uso wa polar	77.5 A2	(1) ACD

Mafuta

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