C44H49NOO7SI ADENOSIE, N-BENZOYOL-5'-ON- [BIS (4-methoxyphylyl) Phenylmetyl] -2'- O- 1,1-ONIDAN ACI) Gipili nga Imahen

C44H49NOO7SI ADENOSIE, N-BENZOYOL-5'-ON- [BIS (4-methoxypylyl) Phenylmetyl] -2'- o 1,1-Aci)

Basic Impormasyon:

Detalye sa Produkto

Mga Tags sa Produkto

Physical Properties

KEY PELIKSYON PROPERTIES	Bili	Kahimtang
Gibug-aton sa molekula	787.98	-
Densidad (gitagna)	1.23 ± 0.1 g / cm3	Temp: 20 ° C; Press: 760 Torr
PKA (gitagna)	7.87 ± 0.43	Kadaghanan sa acidic temps: 25 ° C

Ubang mga ngalan ug identipikasyon

Canonical Smile
O = C (NC1 = NC = NC2 = C1N = CN2C3OC (CC = C) C) C = CC) C) C = CC) C) C) C) C = CC)
Isomeric smile
C (OC [c @ h] 1o [c @ h] ([c @. c) (c) 1o) n2c = 3c (n C (= O) C4 = CC = CC = C4) N = CN3) (C. = CC) C = C.
Inchi
Inchi = 1s / C44H49NO7SI / C1-43 (2,3) 56) 59) (38) 29) 29) 29) 29) 29) 29) 29) 29) 29) 29) 9)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20-24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,
45,46,48,51) / T35-, 37-, 38-, 42- / M1 / S1
Yawe sa inchi
Dazigopasnjpj-gnecsjiwsa-n
2 ubang mga ngalan alang sa kini nga sangkap
N-benzoyl-5'-o- ˘ Ang 4-methoxyphypyl) Phynylmethyl] -2'-o [(1,1-o (1,1-Dimethyletyl] Adenosline (Aci); N6-benzoyl-5'-o- (4,4'- dimeethoxytrityl) -2'-((((((((tert-butyldimethylslyl) adenosine

Eksperimento nga spectra

Magamit ang Spectra
1h nmr
Hetero nmr

Gitagna nga mga kabtangan

Mga kabtangan nga magamit

Biyikolohiya

Kimikal

Density

Lipinski

May kalabutan sa istruktura

Biyikolohiya

Kabtangan	Bili	Kahimtang	Tinubdan
Factor sa Bioconcentration	1.00 x 106	Ph 1; Tats: 25 ° C	(1) ACD
Factor sa Bioconcentration	1.00 x 106	Ph 2; Tats: 25 ° C	(1) ACD
Factor sa Bioconcentration	1.00 x 106	Ph 3; Tats: 25 ° C	(1) ACD
Factor sa Bioconcentration	1.00 x 106	Ph 4; Tats: 25 ° C	(1) ACD
Factor sa Bioconcentration	1.00 x 106	Ph 5; Tats: 25 ° C	(1) ACD
Factor sa Bioconcentration	1.00 x 106	Ph 6; Tats: 25 ° C	(1) ACD
Factor sa Bioconcentration	1.00 x 106	Ph 7; Tats: 25 ° C	(1) ACD
Factor sa Bioconcentration	1.00 x 106	Ph 8; Tats: 25 ° C	(1) ACD
Factor sa Bioconcentration	1.00 x 106	Ph 9; Tats: 25 ° C	(1) ACD
Factor sa Bioconcentration	5.41 x 105	Ph 10; Tats: 25 ° C	(1) ACD

Kimikal

Kabtangan	Bili	Kahimtang	Tinubdan
Lang	2.01 x 106	Ph 1; Tats: 25 ° C	(1) ACD
Lang	6.87 x 106	Ph 2; Tats: 25 ° C	(1) ACD
Lang	9.08 x 106	Ph 3; Tats: 25 ° C	(1) ACD
Lang	9.38 x 106	Ph 4; Tats: 25 ° C	(1) ACD
Lang	9.39 x 106	Ph 5; Tats: 25 ° C	(1) ACD
Lang	9.19 x 106	Ph 6; Tats: 25 ° C	(1) ACD
Lang	7.53 x 106	Ph 7; Tats: 25 ° C	(1) ACD

Kabtangan	Bili	Kahimtang	Tinubdan
Lang	2.73 x 106	Ph 8; Tats: 25 ° C	(1) ACD
Lang	4.48 x 105	Ph 9; Tats: 25 ° C	(1) ACD
Lang	1.31 x 105	Ph 10; Tats: 25 ° C	(1) ACD
troso	9.62	Ph 1; Tats: 25 ° C	(1) ACD
troso	10.15	Ph 2; Tats: 25 ° C	(1) ACD
troso	10.27	Ph 3; Tats: 25 ° C	(1) ACD
troso	10.29	Ph 4; Tats: 25 ° C	(1) ACD
troso	10.29	Ph 5; Tats: 25 ° C	(1) ACD
troso	10.28	Ph 6; Tats: 25 ° C	(1) ACD
troso	10.19	Ph 7; Tats: 25 ° C	(1) ACD
troso	9.75	Ph 8; Tats: 25 ° C	(1) ACD
troso	8.97	Ph 9; Tats: 25 ° C	(1) ACD
troso	8.43	Ph 10; Tats: 25 ° C	(1) ACD
logP	10.291 ± 0.708	Tats: 25 ° C	(1) ACD
Mass Intrinsic Solubility	1.1 x 10-6 g / l	Tats: 25 ° C	(1) ACD
Mass Solubility	4.8 x 10-6 g / l	Ph 1; Tats: 25 ° C	(1) ACD
Mass Solubility	1.4 x 10-6 g / l	Ph 2; Tats: 25 ° C	(1) ACD
Mass Solubility	1.1 x 10-6 g / l	Ph 3; Tats: 25 ° C	(1) ACD
Mass Solubility	1.0 x 10-6 g / l	Ph 4; Tats: 25 ° C	(1) ACD
Mass Solubility	1.0 x 10-6 g / l	Ph 5; Tats: 25 ° C	(1) ACD
Mass Solubility	1.0 x 10-6 g / l	Ph 6; Tats: 25 ° C	(1) ACD
Mass Solubility	1.3 x 10-6 g / l	Ph 7; Tats: 25 ° C	(1) ACD
Mass Solubility	3.5 x 10-6 g / l	Ph 8; Tats: 25 ° C	(1) ACD
Mass Solubility	2.2 x 10-5 g / l	Ph 9; Tats: 25 ° C	(1) ACD
Mass Solubility	7.6 x 10-5 g / l	Ph 10; Tats: 25 ° C	(1) ACD
Mass Solubility	1.3 x 10-6 g / l	Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C	(1) ACD
Molar intrinsic solubility	1.4 x 10-9 MOL / L	Tats: 25 ° C	(1) ACD
Molar Solubility	6.1 x 10-9 MOL / L	Ph 1; Tats: 25 ° C	(1) ACD
Molar Solubility	1.8 x 10-9 MOL / L	Ph 2; Tats: 25 ° C	(1) ACD
Molar Solubility	1.4 x 10-9 MOL / L	Ph 3; Tats: 25 ° C	(1) ACD
Molar Solubility	1.3 x 10-9 MOL / L	Ph 4; Tats: 25 ° C	(1) ACD
Molar Solubility	1.3 x 10-9 MOL / L	Ph 5; Tats: 25 ° C	(1) ACD

Kabtangan	Bili	Kahimtang	Tinubdan
Molar Solubility	1.3 x 10-9 MOL / L	Ph 6; Tats: 25 ° C	(1) ACD
Molar Solubility	1.6 x 10-9 MOL / L	Ph 7; Tats: 25 ° C	(1) ACD
Molar Solubility	4.5 x 10-9 MOL / L	Ph 8; Tats: 25 ° C	(1) ACD
Molar Solubility	2.8 x 10-8 MOL / L	Ph 9; Tats: 25 ° C	(1) ACD
Molar Solubility	9.6 x 10-8 MOL / L	Ph 10; Tats: 25 ° C	(1) ACD
Molar Solubility	1.6 x 10-9 MOL / L	Wala'y pulos nga tubig PH 7.00; Tats: 25 ° C	(1) ACD
Gibug-aton sa molekula	787.98
pka	7.87 ± 0.43	Kadaghanan sa acidic temps: 25 ° C	(1) ACD
pka	1.39 ± 0.10	Kadaghanan sa sukaranan nga temps: 25 ° C	(1) ACD

Density

Kabtangan	Bili	Kahimtang	Tinubdan
Density	1.23 ± 0.1 g / cm3	Temp: 20 ° C; Press: 760 Torr	(1) ACD
Molar nga gidaghanon	639.5 ± 7.0 cm3 / Mol	Temp: 20 ° C; Press: 760 Torr	(1) ACD

Lipinski

Kabtangan	Bili	Kahimtang	Tinubdan
Gawasnon nga rotatable nga bugkos	14		(1) ACD
H Pagdawat	12		(1) ACD
H donor	2		(1) ACD
H Donor / Pagdawat Sum	14		(1) ACD
logP	10.291 ± 0.708	Tats: 25 ° C	(1) ACD
Gibug-aton sa molekula	787.98