C38H49NO7 1- Pyrrolidinedodecanoic acid, 2- [[bis(4-methoxyphenyl)phenylm ethoxy]methyl]-4-hydroxy-λ-oxo-, (2S,4R)- (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	631.80	-
Kiwango cha Kuchemka (Iliyotabiriwa)	779.4±60.0 °C	Bonyeza: 760 Torr
Msongamano (Uliotabiriwa)	1.154±0.06 g/cm3	Joto: 20 ° C; Bonyeza: 760 Torr
pKa (Iliyotabiriwa)	4.78±0.10	Halijoto ya Asidi Zaidi: 25 °C

Majina Mengine na Vitambulisho

TABASAMU za Kisheria O=C(O)CCCCCCCCCC(=O)N1CC(O)CC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C= C4
Isomeric SMILES C(OC[C@H]1N(C(CCCCCCCCCCC(O)=O)=O)C[C@H](O)C1)(C2=CC=C(OC)C=C2)(C3) =CC=C(OC)C=C3)C4=CC=CC=C4
InChI
InChI=1S/C38H49NO7/c1-44-34-22-18-30(19-23-34)38(29-14-10-9-11-15-29,31-20-24-35(45-) 2)25-21-31)46-28-32-26-33(40)27-39(32) 36(41)16-12-7-5-3-4-6-8-13-17- 37(42)43/h9-11,14-15,18-25,32-33,40H,3-8,12-13,16-17,26-28H2,1-2H3,(H,42,43) )/t32-,33+/m0/s1
Ufunguo wa InChi
CEYLTMDXADTBEL-JHOUSYSJSA-N
1 Jina Lingine la Dawa hii
(2S,4R)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-4-hydroxy-λ-oxo-1-pyrrolidinedodecanoic acid (ACI)

Mali Zilizotabiriwa

Mali zinazopatikana

Kibiolojia

Kemikali

Msongamano

Lipinski

Kuhusiana na Muundo

Joto

Kibiolojia

Mali	Thamani	Hali	Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia	2.46 x 105	pH 1; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	2.46 x 105	pH 2; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	2.42 x 105	pH 3; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	2.11 x 105	pH 4; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	92400	pH 5; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	14000	pH 6; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1510	pH 7; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	192	pH 8; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	58.6	pH 9; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	45.3	pH 10; Joto: 25 °C	(1) ACD

Kemikali

Mali	Thamani	Hali	Chanzo
Koc	2.52 x 105	pH 1; Joto: 25 °C	(1) ACD
Koc	2.51 x 105	pH 2; Joto: 25 °C	(1) ACD
Koc	2.47 x 105	pH 3; Joto: 25 °C	(1) ACD
Koc	2.16 x 105	pH 4; Joto: 25 °C	(1) ACD
Koc	94500	pH 5; Joto: 25 °C	(1) ACD
Koc	14300	pH 6; Joto: 25 °C	(1) ACD
Koc	1550	pH 7; Joto: 25 °C	(1) ACD
Koc	196	pH 8; Joto: 25 °C	(1) ACD
Koc	59.9	pH 9; Joto: 25 °C	(1) ACD
Koc	46.3	pH 10; Joto: 25 °C	(1) ACD
logD	7.40	pH 1; Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
logD	7.40	pH 2; Joto: 25 °C	(1) ACD
logD	7.39	pH 3; Joto: 25 °C	(1) ACD
logD	7.33	pH 4; Joto: 25 °C	(1) ACD
logD	6.97	pH 5; Joto: 25 °C	(1) ACD
logD	6.15	pH 6; Joto: 25 °C	(1) ACD
logD	5.19	pH 7; Joto: 25 °C	(1) ACD
logD	4.29	pH 8; Joto: 25 °C	(1) ACD
logD	3.77	pH 9; Joto: 25 °C	(1) ACD
logD	3.66	pH 10; Joto: 25 °C	(1) ACD
logP	7.397±0.598	Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Misa	1.3 x 10-4 g/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.3 x 10-4 g/L	pH 1; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.3 x 10-4 g/L	pH 2; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.3 x 10-4 g/L	pH 3; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.5 x 10-4 g/L	pH 4; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	3.5 x 10-4 g/L	pH 5; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	2.3 x 10-3 g/L	pH 6; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.021 g/L	pH 7; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.17 g/L	pH 8; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.55 g/L	pH 9; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	0.69 g/L	pH 10; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.3 x 10-3 g/L	Maji yasio na buffered pH 5.73; Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Molar	2.1 x 10-7 mol/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.1 x 10-7 mol/L	pH 1; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.1 x 10-7 mol/L	pH 2; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.1 x 10-7 mol/L	pH 3; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.4 x 10-7 mol/L	pH 4; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	5.5 x 10-7 mol/L	pH 5; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	3.6 x 10-6 mol/L	pH 6; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	3.4 x 10-5 mol/L	pH 7; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.7 x 10-4 mol/L	pH 8; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	8.7 x 10-4 mol/L	pH 9; Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa Molar	1.1 x 10-3 mol/L	pH 10; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.1 x 10-6 mol/L	Maji yasio na buffered pH 5.73; Joto: 25 °C	(1) ACD
Uzito wa Masi	631.80
pKa	4.78±0.10	Halijoto ya Asidi Zaidi: 25 °C	(1) ACD
pKa	-2.31±0.60	Joto la Msingi Zaidi: 25 °C	(1) ACD
Shinikizo la Mvuke	1.42 x 10-25 Torr	Joto: 25 °C	(1) ACD

Msongamano

Mali	Thamani	Hali	Chanzo
Msongamano	1.154±0.06 g/cm3	Joto: 20 ° C; Bonyeza: 760 Torr	(1) ACD
Kiasi cha Molar	547.3±3.0 cm3/mol	Joto: 20 ° C; Bonyeza: 760 Torr	(1) ACD

Lipinski

Mali	Thamani	Hali	Chanzo
Vifungo vinavyoweza kuzungushwa kwa Uhuru	20		(1) ACD
H Wapokeaji	8		(1) ACD
H Wafadhili	2		(1) ACD
H Jumla ya Mfadhili/Mpokeaji	10		(1) ACD
logP	7.397±0.598	Joto: 25 °C	(1) ACD
Uzito wa Masi	631.80

Kuhusiana na Muundo

Mali	Thamani	Hali	Chanzo
Eneo la Uso wa Polar	106 A2	(1) ACD

Joto

Mali	Thamani	Hali	Chanzo
Kiwango cha kuchemsha	779.4±60.0 °C	Bonyeza: 760 Torr	(1) ACD
Enthalpy ya vaporization	118.97±3.0 kJ/mol	Bonyeza: 760 Torr	(1) ACD
Kiwango cha Kiwango	425.2±32.9 °C		(1) ACD