Chemical Properties of GA5-13-O-«beta»-D-glucopyranoside, permethyl

InChI

InChI=1S/C30H42O10/c1-16-13-28-15-29(16,39-25-22(36-6)21(35-5)20(34-4)17(38-25)14-33-3)12-9-18(28)30-11-8-10-27(2,26(32)40-30)23(30)19(28)24(31)37-7/h8,10,17-23,25H,1,9,11-15H2,2-7H3/t17-,18-,19-,20-,21+,22-,23-,25+,27-,28+,29+,30-/m0/s1

InChI Key

QMGPDYTYPCBFFJ-IYHAUVRDSA-N

Formula

C30H42O10

SMILES

C=C1CC23CC1(OC1OC(COC)C(OC)C(OC)C1OC)CCC2C12CC=CC(C)(C(=O)O1)C2C3C(=O)OC

Molecular Weight¹

562.65

Other Names

• GA5-13-O-glucoside, permethylated

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	59.92	kJ/mol	Joback Calculated Property
logPoct/wat	2.585		Crippen Calculated Property
McVol	409.900	ml/mol	McGowan Calculated Property
Inp	[3392.00; 3403.00]
Inp	3392.00		NIST
Inp	3402.00		NIST
Inp	3403.00		NIST
Inp	3402.00		NIST
Inp	3392.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[601.53; 1585.12]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.79819e+02
Coefficient B			4.13702e+00
Coefficient C			-3.72498e-03
Coefficient D			1.45290e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	601.53	J/mol×K	273.00	Calculated Property
Cp,gas	781.89	J/mol×K	353.78	Calculated Property
Cp,gas	933.75	J/mol×K	434.56	Calculated Property
Cp,gas	1061.73	J/mol×K	515.33	Calculated Property
Cp,gas	1170.40	J/mol×K	596.11	Calculated Property
Cp,gas	1264.37	J/mol×K	676.89	Calculated Property
Cp,gas	1348.24	J/mol×K	757.67	Calculated Property
Cp,gas	1426.59	J/mol×K	838.44	Calculated Property
Cp,gas	1504.02	J/mol×K	919.22	Calculated Property
Cp,gas	1585.12	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to GA5-13-O-«beta»-D-glucopyranoside, permethyl.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.