C13H19N5O6 Guanosine, 2′ -O-(2-methoxyethyl)- (9CI, ACI)

Pangunahing Impormasyon:

Detalye ng Produkto

Mga Tag ng Produkto

Detalye ng sangkap

CAS Registry Number

473278-54-5

Pangunahing Pisikal na Katangian	Halaga	Kundisyon
Molekular na Timbang	341.32	-
Boiling Point (Hulaan)	715.0±70.0 °C	Pindutin ang: 760 Torr
Densidad (Hula)	1.81±0.1 g/cm3	Temp: 20 °C;Pindutin ang: 760 Torr
pKa (Hula)	13.20±0.70	Pinakamaasim na Temp: 25 °C

Iba pang Pangalan at Identifier

Canonical SMILES

O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC

Isomeric SMILES

O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C3=C(N=C2)C(=O)N=C( N)N3

InChI

InChI= 1S/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7-10(18)16-13( 14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3, 14,16,17,21)/t6-,8-,9- ,12-/m1/s1

Susi ng InChI

DLLBJSLIKOKFHE-WOUKDFQISA-N

1 Iba Pang Pangalan para sa Substansyang ito

2′-O-(2-Methoxyethyl)guanosine (ACI)

Available ang mga property
Optical at Scattering
Thermal

Optical at Scatering

Ari-arian	Halaga	Kundisyon	Pinagmulan
Optical Rotatory Power	-51 deg-mL/g-dm	c: 1.4 g/100ml;Solvent: Dichloromethane;λ: 589.3 nm;Temp: 25 °C	(1) CAS
Optical Rotatory Power	Tingnan ang Buong Teksto		(2) CAS

(1) Wen, Ke;Journal of Organic Chemistry, (2002), 67(22), 7887-7889, CAplus

(2) Wen, Ke;Journal of Organic Chemistry, (2002), 67(22), 7887-7889, CAplus

Thermal

Ari-arian	Halaga	Pinagmulan ng Kondisyon
Temperatura ng pagkatunaw	Tingnan ang Buong Teksto	(1) CAS

(1) Taj, Shabbir Ali S.;Mga Nucleoside, Nucleotides at Nucleic Acids, (2008), 27(9), 1024-1033, CAplus

Eksperimental na Spectra

Available ang spectra
1 H NMR
13 C NMR
IR

Mga Hinulaang Katangian

Available ang mga property
Biyolohikal
Kemikal
Densidad
Lipinski
Kaugnay na Istruktura
Thermal

Biyolohikal

Ari-arian	Halaga	Kundisyon	Pinagmulan
Salik ng Bioconcentration	1.0	pH 1;Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 2;Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 3;Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 4;Temp: 25 °C	(1) ACD

Ari-arian	Halaga	Kundisyon	Pinagmulan
Salik ng Bioconcentration	1.0	pH 5;Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 6;Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 7;Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 8;Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 9;Temp: 25 °C	(1) ACD
Salik ng Bioconcentration	1.0	pH 10;Temp: 25 °C	(1) ACD

Kemikal

Ari-arian	Halaga	Kundisyon	Pinagmulan
Sinabi ni Koc	1.0	pH 1;Temp: 25 °C	(1) ACD
Sinabi ni Koc	1.0	pH 2;Temp: 25 °C	(1) ACD
Sinabi ni Koc	4.27	pH 3;Temp: 25 °C	(1) ACD
Sinabi ni Koc	8.49	pH 4;Temp: 25 °C	(1) ACD
Sinabi ni Koc	9.43	pH 5;Temp: 25 °C	(1) ACD
Sinabi ni Koc	9.54	pH 6;Temp: 25 °C	(1) ACD
Sinabi ni Koc	9.55	pH 7;Temp: 25 °C	(1) ACD
Sinabi ni Koc	9.55	pH 8;Temp: 25 °C	(1) ACD
Sinabi ni Koc	9.55	pH 9;Temp: 25 °C	(1) ACD
Sinabi ni Koc	9.54	pH 10;Temp: 25 °C	(1) ACD
talaD	-2.65	pH 1;Temp: 25 °C	(1) ACD
talaD	-1.84	pH 2;Temp: 25 °C	(1) ACD
talaD	-1.08	pH 3;Temp: 25 °C	(1) ACD
talaD	-0.78	pH 4;Temp: 25 °C	(1) ACD
talaD	-0.74	pH 5;Temp: 25 °C	(1) ACD
talaD	-0.73	pH 6;Temp: 25 °C	(1) ACD
talaD	-0.73	pH 7;Temp: 25 °C	(1) ACD
talaD	-0.73	pH 8;Temp: 25 °C	(1) ACD
talaD	-0.73	pH 9;Temp: 25 °C	(1) ACD
talaD	-0.73	pH 10;Temp: 25 °C	(1) ACD
logP	-0.730±0.568	Temp: 25 °C	(1) ACD
Mass Intrinsic Solubility	0.44 g/L	Temp: 25 °C	(1) ACD
Mass Solubility	38 g/L	pH 1;Temp: 25 °C	(1) ACD
Mass Solubility	5.5 g/L	pH 2;Temp: 25 °C	(1) ACD

Ari-arian	Halaga	Kundisyon	Pinagmulan
Mass Solubility	0.96 g/L	pH 3;Temp: 25 °C	(1) ACD
Mass Solubility	0.48 g/L	pH 4;Temp: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	pH 5;Temp: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	pH 6;Temp: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	pH 7;Temp: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	pH 8;Temp: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	pH 9;Temp: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	pH 10;Temp: 25 °C	(1) ACD
Mass Solubility	0.44 g/L	Unbuffered Water pH 7.20;Temp: 25 °C	(1) ACD
Molar Intrinsic Solubility	1.3 x 10-3 mol/L	Temp: 25 °C	(1) ACD
Molar Solubility	0.11 mol/L	pH 1;Temp: 25 °C	(1) ACD
Molar Solubility	0.016 mol/L	pH 2;Temp: 25 °C	(1) ACD
Molar Solubility	2.8 x 10-3 mol/L	pH 3;Temp: 25 °C	(1) ACD
Molar Solubility	1.4 x 10-3 mol/L	pH 4;Temp: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	pH 5;Temp: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	pH 6;Temp: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	pH 7;Temp: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	pH 8;Temp: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	pH 9;Temp: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	pH 10;Temp: 25 °C	(1) ACD
Molar Solubility	1.3 x 10-3 mol/L	Unbuffered Water pH 7.20;Temp: 25 °C	(1) ACD
Molekular na Timbang	341.32
pKa	13.20±0.70	Pinakamaasim na Temp: 25 °C	(1) ACD
pKa	3.00±0.20	Karamihan sa Pangunahing Temp: 25 °C	(1) ACD
Presyon ng singaw	1.86 x 10-21 Torr	Temp: 25 °C	(1) ACD

Densidad

Ari-arian	Halaga	Kundisyon	Pinagmulan
Densidad	1.81±0.1 g/cm3	Temp: 20 °C;Pindutin ang: 760 Torr	(1) ACD
Dami ng Molar	188.5±7.0 cm3/mol	Temp: 20 °C;Pindutin ang: 760 Torr	(1) ACD

Lipinski

Ari-arian	Halaga	Kundisyon	Pinagmulan
Mga Malayang Naiikot na Bono	8		(1) ACD
H Mga Tatanggap	11		(1) ACD
H Mga Donor	5		(1) ACD
H Donor/Acceptor Sum	16		(1) ACD
logP	-0.730±0.568	Temp: 25 °C	(1) ACD
Molekular na Timbang	341.32

Kaugnay na Istruktura

Ari-arian	Halaga	Pinagmulan ng Kondisyon
Polar Surface Area	153 A2	(1) ACD

Thermal

Ari-arian	Halaga	Kundisyon	Pinagmulan
Punto ng pag-kulo	715.0±70.0 °C	Pindutin ang: 760 Torr	(1) ACD
Enthalpy ng Vaporization	109.72±3.0 kJ/mol	Pindutin ang: 760 Torr	(1) ACD
Flash Point	386.2±35.7 °C		(1) ACD