C41H41N5O8 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′- O-(2-methoxyethyl)- (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	731.79	-
Kiwango Myeyuko (Majaribio)	119-121 °C	-
Msongamano (Uliotabiriwa)	1.31±0.1 g/cm3	Joto: 20 ° C; Bonyeza: 760 Torr
pKa (Iliyotabiriwa)	7.87±0.43	Halijoto ya Asidi Zaidi: 25 °C

Majina Mengine na Vitambulisho

TABASAMU za Kisheria O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6 )C(O)C3OCCOC)C=7C=CC=CC7
Isomeric TABASAMU
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C=3C(N=C2)=C(NC(=O)C4=CC =CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C
=C6)C7=CC=CC=C7
InChI
InChI=1S/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34) 46)45-39(48)27-10-6-4-7-11-27)24-53- 41(28-12-8-5-9-13-28,29-14-18-31( 50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2, 1-3H3, (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
Ufunguo wa InChI
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Majina Mengine ya Dawa hii
N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-(2-methoxyethyl)adenosine (ACI); 17: PN: US20030211606 UKURASA: 19 mlolongo unaodaiwa; 18: PN: US20040005569 UKURASA: 22 mlolongo unaodaiwa; 20: PN: US20040006030 UKURASA: 23 mlolongo unaodaiwa; 20: PN: US20040014047 UKURASA: 21 mlolongo unaodaiwa; 20: PN: US20040014049 UKURASA: 21 mlolongo unaodaiwa; 21: PN: US20040005570 PAG

E: mlolongo 20 unaodaiwa; 21: PN: US20040014048 UKURASA: 21 mlolongo unaodaiwa; 21: PN: US20040014050 UKURASA: Mfululizo 20 unaodaiwa; 22: PN: US20040005565 UKURASA: 17- 22 mlolongo unaodaiwa; 22: PN: US20040014051 UKURASA: 23 mlolongo unaodaiwa; 23: PN: US20040 014699 UKURASA: 20 mlolongo unaodaiwa; 24: PN: US20040006029 UKURASA: 23 mlolongo unaodaiwa; 24: PN: WO03106645 UKURASA: 73 mlolongo unaodaiwa; 5′-Dimethoxytrityl-2′-O-(2-Methoxyethyl)-N6-benzoyl adenosine; 95: PN: US20040005707 UKURASA: 20 mlolongo unaodaiwa

Sifa za Majaribio

Mali zinazopatikana

Joto

Joto

Mali	Thamani	Hali	Chanzo
Kiwango Myeyuko	119-121 °C	(1) CAS

(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus

Spectra ya Majaribio

Spectra inapatikana
1H NMR
13C NMR

Mali Zilizotabiriwa

Mali zinazopatikana

Kibiolojia

Kemikali

Msongamano

Lipinski

Kuhusiana na Muundo

Kibiolojia

Mali	Thamani	Hali	Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia	31700	pH 1; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.08 x 105	pH 2; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.43 x 105	pH 3; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.48 x 105	pH 4; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.48 x 105	pH 5; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.45 x 105	pH 6; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	1.19 x 105	pH 7; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	43000	pH 8; Joto: 25 °C	(1) ACD
Kipengele cha Mkusanyiko wa Kibiolojia	7050	pH 9; Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Kipengele cha Mkusanyiko wa Kibiolojia	2060	pH 10; Joto: 25 °C	(1) ACD

Kemikali

Mali	Thamani	Hali	Chanzo
Koc	37400	pH 1; Joto: 25 °C	(1) ACD
Koc	1.28 x 105	pH 2; Joto: 25 °C	(1) ACD
Koc	1.69 x 105	pH 3; Joto: 25 °C	(1) ACD
Koc	1.74 x 105	pH 4; Joto: 25 °C	(1) ACD
Koc	1.74 x 105	pH 5; Joto: 25 °C	(1) ACD
Koc	1.71 x 105	pH 6; Joto: 25 °C	(1) ACD
Koc	1.40 x 105	pH 7; Joto: 25 °C	(1) ACD
Koc	50700	pH 8; Joto: 25 °C	(1) ACD
Koc	8320	pH 9; Joto: 25 °C	(1) ACD
Koc	2430	pH 10; Joto: 25 °C	(1) ACD
logD	6.44	pH 1; Joto: 25 °C	(1) ACD
logD	6.97	pH 2; Joto: 25 °C	(1) ACD
logD	7.09	pH 3; Joto: 25 °C	(1) ACD
logD	7.11	pH 4; Joto: 25 °C	(1) ACD
logD	7.11	pH 5; Joto: 25 °C	(1) ACD
logD	7.10	pH 6; Joto: 25 °C	(1) ACD
logD	7.01	pH 7; Joto: 25 °C	(1) ACD
logD	6.57	pH 8; Joto: 25 °C	(1) ACD
logD	5.78	pH 9; Joto: 25 °C	(1) ACD
logD	5.25	pH 10; Joto: 25 °C	(1) ACD
logP	7.109±0.766	Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Misa	5.6 x 10-6 g/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	2.6 x 10-5 g/L	pH 1; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	7.3 x 10-6 g/L	pH 2; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.8 x 10-6 g/L	pH 3; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.6 x 10-6 g/L	pH 4; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.6 x 10-6 g/L	pH 5; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	5.7 x 10-6 g/L	pH 6; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	7.0 x 10-6 g/L	pH 7; Joto: 25 °C	(1) ACD

Mali	Thamani	Hali	Chanzo
Umumunyifu wa Misa	1.9 x 10-5 g/L	pH 8; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	1.2 x 10-4 g/L	pH 9; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	4.0 x 10-4 g/L	pH 10; Joto: 25 °C	(1) ACD
Umumunyifu wa Misa	7.0 x 10-6 g/L	Maji yasiyo na buffered pH 7.00; Joto: 25 °C	(1) ACD
Umumunyifu wa Ndani wa Molar	7.6 x 10-9 mol/L	Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	3.6 x 10-8 mol/L	pH 1; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.0 x 10-8 mol/L	pH 2; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.9 x 10-9 mol/L	pH 3; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.7 x 10-9 mol/L	pH 4; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.7 x 10-9 mol/L	pH 5; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	7.8 x 10-9 mol/L	pH 6; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	9.6 x 10-9 mol/L	pH 7; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	2.6 x 10-8 mol/L	pH 8; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	1.6 x 10-7 mol/L	pH 9; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	5.5 x 10-7 mol/L	pH 10; Joto: 25 °C	(1) ACD
Umumunyifu wa Molar	9.5 x 10-9 mol/L	Maji yasiyo na buffered pH 7.00; Joto: 25 °C	(1) ACD
Uzito wa Masi	731.79
pKa	7.87±0.43	Halijoto ya Asidi Zaidi: 25 °C	(1) ACD
pKa	1.39±0.10	Joto la Msingi Zaidi: 25 °C	(1) ACD

Msongamano

Mali	Thamani	Hali	Chanzo
Msongamano	1.31±0.1 g/cm3	Joto: 20 ° C; Bonyeza: 760 Torr	(1) ACD
Kiasi cha Molar	556.9±7.0 cm3/mol	Joto: 20 ° C; Bonyeza: 760 Torr	(1) ACD