C13H19N5O5 Adenosine, 2 ′ -O- (2-methoxyethyl)-(9ci, ACI)

Pangunahing impormasyon:

Detalye ng produkto

Mga tag ng produkto

Detalye ng sangkap

Numero ng rehistro ng CAS

168427-74-5

Mga pangunahing katangian ng pisikal	Halaga	Kundisyon
Molekular na timbang	325.32	-
Boiling point (hinulaang)	639.0 ± 65.0 ° C.	Pindutin: 760 Torr
Density (hinulaang)	1.70 ± 0.1 g/cm3	Temp: 20 ° C; Pindutin: 760 Torr
pka (hinulaang)	13.12 ± 0.70	Karamihan sa acidic temp: 25 ° C.

Iba pang mga pangalan at pagkakakilanlan

Canonical smiles

OCC1OC (N2C = NC = 3C (= NC = NC32) N) C (OCCOC) C1O

Ngumiti si Isomeric

O (ccoc) [c@h] 1 [c @@ h] (o [c@h] (co) [c@h] 1o) n2c = 3c (n = c2) = c (n) n = cn3

Inchi

Inchi = 1S/C13H19N5O5/C1-21-2-3-22-10-9 (20) 7 (4-19) 23-13 (10) 18-6-17-8-11 (14) 15-5-16-12 (8) 18/H5-7,9-10,13,19-20H, 2-4H2,1H3, (H2,14,15,16)/t7-, 9-, 10-, 13-/m1/s1

Inchi key

PUDXUJRJLRLJIU-QYVSTXNMSA-n

1 iba pang pangalan para sa sangkap na ito

2 ′ -O-(2-methoxyethyl) Adenosine (ACI)

Magagamit ang spectra
1 h nmr
13 C NMR

Hinulaang mga pag -aari

Magagamit ang mga pag -aari
Biological
Kemikal
Density
Lipinski
May kaugnayan sa istraktura
Thermal

Biological

Ari -arian	Halaga	Kundisyon	Pinagmulan
Bioconcentration factor	1.0	pH 1; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 2; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 3; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.0	Ph 4; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.18	Ph 5; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.31	Ph 6; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.32	Ph 7; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.32	Ph 8; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.32	Ph 9; Temp: 25 ° C.	(1) ACD
Bioconcentration factor	1.32	Ph 10; Temp: 25 ° C.	(1) ACD

Kemikal

Ari -arian	Halaga	Kundisyon	Pinagmulan
KOC	1.0	pH 1; Temp: 25 ° C.	(1) ACD
KOC	1.0	Ph 2; Temp: 25 ° C.	(1) ACD
KOC	3.39	Ph 3; Temp: 25 ° C.	(1) ACD
KOC	19.4	Ph 4; Temp: 25 ° C.	(1) ACD
KOC	38.0	Ph 5; Temp: 25 ° C.	(1) ACD
KOC	42.0	Ph 6; Temp: 25 ° C.	(1) ACD
KOC	42.5	Ph 7; Temp: 25 ° C.	(1) ACD

Ari -arian	Halaga	Kundisyon	Pinagmulan
KOC	42.5	Ph 8; Temp: 25 ° C.	(1) ACD
KOC	42.5	Ph 9; Temp: 25 ° C.	(1) ACD
KOC	42.5	Ph 10; Temp: 25 ° C.	(1) ACD
logd	-1.94	pH 1; Temp: 25 ° C.	(1) ACD
logd	-1.48	Ph 2; Temp: 25 ° C.	(1) ACD
logd	-0.64	Ph 3; Temp: 25 ° C.	(1) ACD
logd	0.12	Ph 4; Temp: 25 ° C.	(1) ACD
logd	0.41	Ph 5; Temp: 25 ° C.	(1) ACD
logd	0.46	Ph 6; Temp: 25 ° C.	(1) ACD
logd	0.46	Ph 7; Temp: 25 ° C.	(1) ACD
logd	0.46	Ph 8; Temp: 25 ° C.	(1) ACD
logd	0.46	Ph 9; Temp: 25 ° C.	(1) ACD
logd	0.46	Ph 10; Temp: 25 ° C.	(1) ACD
Logp	0.462 ± 0.647	Temp: 25 ° C.	(1) ACD
Mass intrinsic solubility	4.2 g/l	Temp: 25 ° C.	(1) ACD
Solubility ng Mass	999 g/l	pH 1; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	381 g/l	Ph 2; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	55 g/l	Ph 3; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	9.4 g/l	Ph 4; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	4.9 g/l	Ph 5; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	4.2 g/l	Ph 6; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	4.2 g/l	Ph 7; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	4.2 g/l	Ph 8; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	4.2 g/l	Ph 9; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	4.2 g/l	Ph 10; Temp: 25 ° C.	(1) ACD
Solubility ng Mass	4.2 g/l	Hindi nabubuong tubig pH 8.08; Temp: 25 ° C.	(1) ACD
Molar intrinsic solubility	0.013 mol/l	Temp: 25 ° C.	(1) ACD
Molar solubility	3.07 mol/l	pH 1; Temp: 25 ° C.	(1) ACD
Molar solubility	1.17 mol/l	Ph 2; Temp: 25 ° C.	(1) ACD
Molar solubility	0.17 mol/l	Ph 3; Temp: 25 ° C.	(1) ACD
Molar solubility	0.029 mol/l	Ph 4; Temp: 25 ° C.	(1) ACD
Molar solubility	0.015 mol/l	Ph 5; Temp: 25 ° C.	(1) ACD

Ari -arian	Halaga	Kundisyon	Pinagmulan
Molar solubility	0.013 mol/l	Ph 6; Temp: 25 ° C.	(1) ACD
Molar solubility	0.013 mol/l	Ph 7; Temp: 25 ° C.	(1) ACD
Molar solubility	0.013 mol/l	Ph 8; Temp: 25 ° C.	(1) ACD
Molar solubility	0.013 mol/l	Ph 9; Temp: 25 ° C.	(1) ACD
Molar solubility	0.013 mol/l	Ph 10; Temp: 25 ° C.	(1) ACD
Molar solubility	0.013 mol/l	Hindi nabubuong tubig pH 8.08; Temp: 25 ° C.	(1) ACD
Molekular na timbang	325.32
PKA	13.12 ± 0.70	Karamihan sa acidic temp: 25 ° C.	(1) ACD
PKA	3.82 ± 0.10	Karamihan sa mga pangunahing temp: 25 ° C.	(1) ACD
Presyon ng singaw	3.35 x 10-17 Torr	Temp: 25 ° C.	(1) ACD

Density

Ari -arian	Halaga	Kundisyon	Pinagmulan
Density	1.70 ± 0.1 g/cm3	Temp: 20 ° C; Pindutin: 760 Torr	(1) ACD
Dami ng molar	191.2 ± 7.0 cm3/mol	Temp: 20 ° C; Pindutin: 760 Torr	(1) ACD

Lipinski

Ari -arian	Halaga	Kundisyon	Pinagmulan
Malayang rotatable bond	8		(1) ACD
H Mga Tanggap	10		(1) ACD
H donor	4		(1) ACD
H Donor/Acceptor Sum	14		(1) ACD
Logp	0.462 ± 0.647	Temp: 25 ° C.	(1) ACD
Molekular na timbang	325.32

May kaugnayan sa istraktura

Ari -arian	Halaga	Mapagkukunan ng kondisyon
Polar Surface Area	138 A2	(1) ACD

Ari -arian	Halaga	Kundisyon	Pinagmulan
Boiling point	639.0 ± 65.0 ° C.	Pindutin: 760 Torr	(1) ACD
Enthalpy ng singaw	99.17 ± 3.0 kJ/mol	Pindutin: 760 Torr	(1) ACD
Flash point	340.2 ± 34.3 ° C.		(1) ACD