C41H51N5O8Si Guanosine, 5′-O. )

Basic notitia:

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Product Detail

Product Tags

Corporalis proprietatibus

Key Physical Properties	Precium	Conditio
M. Pondus	769.96	-
Densitas (Predicted)	1.25±0.1 g/cm3	Temp: 20 °C;Press: 760 Torr
pKa (Predicta)	9.16±0.20	Most acidic Temp: 25 °C

Alia nomina et Identifiers

CANONICI SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6= CC=C(OC)C=C6)C(O)C3O[Si](C)(C)C(C)(C)C
Isomeric SMILES
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)(C)C)[C@@H]1O)N2C3= C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C=C4)(C5=CC=C(OC) C=C5)C6=CC=CC=C6
InChI'
InChI=1S/C41H51N5O8Si/c1-25(2)36(48)44-39-43-35-32(37(49)45-39)42-24-46(35)38-34(54-55; 8,9)40(3,4)5)33(47)31(53-38)23-52-41(2 6-13-11-10-12-14-26,27-15-19-29 (50-6)20-16-27)28-17-21-30(51-7)22-18-28/h10-22,24-25,31,33-34,38,47H,23H2,1 -9H3,(H2,43,44,45;
48,49)/t31-,33-,34-,38-/m1/s1
InChI Key
JMCNKJFOIJGYRG-CJEGOSRCSA-N
1 Alii nomen huic substantiae
5′-O.

Spectra Experimentalis

Spectra praesto
1H NMR
13C NMR
Mass

Praedicta Properties

Properties praesto

Biological

Chemical

Density

Lipinski

Structure Related

Biological

Property	Precium	Conditio	Source
Bioconcentration Factor	1.38 x 105	pH 1;Temp: 25 °C	(1) ACD
Bioconcentration Factor	3.53 x 105	pH 2;Temp: 25 °C	(1) ACD
Bioconcentration Factor	4.18 x 105	pH 3;Temp: 25 °C	(1) ACD
Bioconcentration Factor	4.26 x 105	pH 4;Temp: 25 °C	(1) ACD
Bioconcentration Factor	4.26 x 105	pH 5;Temp: 25 °C	(1) ACD
Bioconcentration Factor	4.26 x 105	pH 6;Temp: 25 °C	(1) ACD
Bioconcentration Factor	4.21 x 105	pH 7;Temp: 25 °C	(1) ACD
Bioconcentration Factor	3.77 x 105	pH 8;Temp: 25 °C	(1) ACD
Bioconcentration Factor	1.86 x 105	pH 9;Temp: 25 °C	(1) ACD
Bioconcentration Factor	33800	pH 10;Temp: 25 °C	(1) ACD

Chemical

Property	Precium	Conditio	Source
Koc	1.21 x 105	pH 1;Temp: 25 °C	(1) ACD
Koc	3.08 x 105	pH 2;Temp: 25 °C	(1) ACD
Koc	3.65 x 105	pH 3;Temp: 25 °C	(1) ACD
Koc	3.72 x 105	pH 4;Temp: 25 °C	(1) ACD
Koc	3.73 x 105	pH 5;Temp: 25 °C	(1) ACD
Koc	3.72 x 105	pH 6;Temp: 25 °C	(1) ACD
Koc	3.68 x 105	pH 7;Temp: 25 °C	(1) ACD

Property	Precium	Conditio	Source
Koc	3.30 x 105	pH 8;Temp: 25 °C	(1) ACD
Koc	1.62 x 105	pH 9;Temp: 25 °C	(1) ACD
Koc	29600	pH 10;Temp: 25 °C	(1) ACD
logD	7.22	pH 1;Temp: 25 °C	(1) ACD
logD	7.63	pH 2;Temp: 25 °C	(1) ACD
logD	7.70	pH 3;Temp: 25 °C	(1) ACD
logD	7.71	pH 4;Temp: 25 °C	(1) ACD
logD	7.71	pH 5;Temp: 25 °C	(1) ACD
logD	7.71	pH 6;Temp: 25 °C	(1) ACD
logD	7.70	pH 7;Temp: 25 °C	(1) ACD
logD	7.66	pH 8;Temp: 25 °C	(1) ACD
logD	7.35	pH 9;Temp: 25 °C	(1) ACD
logD	6.61	pH 10;Temp: 25 °C	(1) ACD
logP	7.710±0.709	Temp: 25 °C	(1) ACD
Missa Solubilitas intrinseca	2.7 x 10-5 g/L	Temp: 25 °C	(1) ACD
Missa Solubilitas	8.5 x 10-5 g/L	pH 1;Temp: 25 °C	(1) ACD
Missa Solubilitas	3.3 x 10-5 g/L	pH 2;Temp: 25 °C	(1) ACD
Missa Solubilitas	2.8 x 10-5 g/L	pH 3;Temp: 25 °C	(1) ACD
Missa Solubilitas	2.7 x 10-5 g/L	pH 4;Temp: 25 °C	(1) ACD
Missa Solubilitas	2.7 x 10-5 g/L	pH 5;Temp: 25 °C	(1) ACD
Missa Solubilitas	2.7 x 10-5 g/L	pH 6;Temp: 25 °C	(1) ACD
Missa Solubilitas	2.8 x 10-5 g/L	pH 7;Temp: 25 °C	(1) ACD
Missa Solubilitas	3.1 x 10-5 g/L	pH 8;Temp: 25 °C	(1) ACD
Missa Solubilitas	6.2 x 10-5 g/L	pH 9;Temp: 25 °C	(1) ACD
Missa Solubilitas	3.5 x 10-4 g/L	pH 10;Temp: 25 °C	(1) ACD
Missa Solubilitas	2.8 x 10-5 g/L	Aquam gratuitam pH 7.00;Temp: 25 °C	(1) ACD
Molares Intrinsicas Solubility	3.5 x 10-8 mol/L	Temp: 25 °C	(1) ACD
Molares Solubility	1.1 x 10-7 mol/L	pH 1;Temp: 25 °C	(1) ACD
Molares Solubility	4.3 x 10-8 mol/L	pH 2;Temp: 25 °C	(1) ACD
Molares Solubility	3.6 x 10-8 mol/L	pH 3;Temp: 25 °C	(1) ACD
Molares Solubility	3.5 x 10-8 mol/L	pH 4;Temp: 25 °C	(1) ACD
Molares Solubility	3.5 x 10-8 mol/L	pH 5;Temp: 25 °C	(1) ACD

Property	Precium	Conditio	Source
Molares Solubility	3.5 x 10-8 mol/L	pH 6;Temp: 25 °C	(1) ACD
Molares Solubility	3.6 x 10-8 mol/L	pH 7;Temp: 25 °C	(1) ACD
Molares Solubility	4.0 x 10-8 mol/L	pH 8;Temp: 25 °C	(1) ACD
Molares Solubility	8.1 x 10-8 mol/L	pH 9;Temp: 25 °C	(1) ACD
Molares Solubility	4.5 x 10-7 mol/L	pH 10;Temp: 25 °C	(1) ACD
Molares Solubility	3.6 x 10-8 mol/L	Aquam gratuitam pH 7.00;Temp: 25 °C	(1) ACD
M. Pondus	769.96
pKa	9.16±0.20	Most acidic Temp: 25 °C	(1) ACD
pKa	1.73±0.10	Most Basic Temp: 25 °C	(1) ACD

Density

Property	Precium	Conditio	Source
Density	1.25±0.1 g/cm3	Temp: 20 °C;Press: 760 Torr	(1) ACD
Molar Volume	615.5±7.0 cm3/mol	Temp: 20 °C;Press: 760 Torr	(1) ACD

Lipinski

Property	Precium	Conditio	Source
Sponte rotatable vincula	14		(1) ACD
H. Acceptores	13		(1) ACD
H Donors	3		(1) ACD
H Donor/Acceptor Sum	16		(1) ACD
logP	7.710±0.709	Temp: 25 °C	(1) ACD
M. Pondus	769.96