Chemical Properties of cyclohexapentylose (CAS 10016-20-3)

InChI

InChI=1S/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7?,8?,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25-,26-,27-,28-,29-,30?,31-,32?,33-,34-,35-,36-/m0/s1

InChI Key

HFHDHCJBZVLPGP-OQDZSFIYSA-N

Formula

C36H60O30

SMILES

OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC1C(O)C2O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O

Molecular Weight¹

972.84

CAS

10016-20-3

Other Names

• .alpha.-cyclodextrin
• cyclohexaamylose
• «alpha»-Cyclodextrin

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[-4554.46; 2567.48]	J/mol×K	[332.68; 3035.16]
Cp,gas	1181.50	J/mol×K	332.68	Joback Calculated Property
Cp,gas	2567.48	J/mol×K	1233.51	Joback Calculated Property
Cp,gas	790.29	J/mol×K	2134.33	Joback Calculated Property
Cp,gas	-4554.46	J/mol×K	3035.16	Joback Calculated Property
Cp,solid	[1074.60; 1502.70]	J/mol×K	[288.15; 358.15]
Cp,solid	1074.60	J/mol×K	288.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1113.20	J/mol×K	293.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1153.00	J/mol×K	298.15	NIST
Cp,solid	1150.00	J/mol×K	298.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1164.10	J/mol×K	303.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1201.50	J/mol×K	308.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1212.60	J/mol×K	313.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1230.20	J/mol×K	318.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1259.30	J/mol×K	323.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1282.60	J/mol×K	328.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1305.30	J/mol×K	333.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1335.30	J/mol×K	338.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1364.60	J/mol×K	343.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1401.60	J/mol×K	348.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1442.60	J/mol×K	353.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
Cp,solid	1502.70	J/mol×K	358.15	Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
η	[0.0000000; 0.0000000]	Pa×s	[1863.22; 3035.16]
η	0.0000000	Pa×s	1863.22	Joback Calculated Property
η	0.0000000	Pa×s	2058.54	Joback Calculated Property
η	0.0000000	Pa×s	2253.87	Joback Calculated Property
η	0.0000000	Pa×s	2449.19	Joback Calculated Property
η	0.0000000	Pa×s	2644.51	Joback Calculated Property
η	0.0000000	Pa×s	2839.84	Joback Calculated Property
η	0.0000000	Pa×s	3035.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to cyclohexapentylose.

Mixtures

• cyclohexapentylose + Procaine, hydrochloride + Water
• cyclohexapentylose + Octanoic acid + Water
• cyclohexapentylose + Water
• cyclohexapentylose + Sulfathiazole + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Measurement and correlation of solubilities of the poorlywater-soluble pharmaceutical compound etodolac by addition of co-solvents
• Temperature dependence of the heat capacities in the solid state of 18 mono-, di-, and poly-saccharides
• Thermodynamic studies of drug - .alpha.-cyclodextrin interactions in water at 298.15 K: Procaine hydrochloride/lidocaine hydrochloride/tetracaine hydrochloride/ranitidine hydrochloride + .alpha.-cyclodextrin + H2O systems
• Limiting diffusion coefficients of sodium octanoate, and octanoic acid in aqueous solutions without and with .alpha.-cyclodextrin
• .alpha.-Cyclodextrin - Water binary system. New data on dehydration of .alpha.-cyclodextrin hexahydrate
• A volumetric approach: Interactions of some local anesthetical drugs with alpha-cyclodextrin in aqueous solutions at 298.15 K
• Effect of presence of alpha-cyclodextrin and beta-cyclodextrin on solution behavior of sulfathiazole at different temperatures: Thermodynamic and spectroscopic studies
• Effect of different excipients on aqueous solubility of leflunomide.Thermodynamic study
• Binary Mutual Diffusion Coefficients of Aqueous Solutions of r-Cyclodextrin, 2-Hydroxypropyl-r-cyclodextrin, and 2-Hydroxypropyl-a-cyclodextrin at Temperatures from (298.15 to 312.15) K
• Activity Coefficient Studies in Ternary Aqueous Solutions at 298.15 K: H2O + r-Cyclodextrin + Potassium Acetate and H2O + 18-Crown-6 + Hydroquinone Systems
• Joback Method
• McGowan Method
• NIST Webbook

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