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Search term: RPZANUYHRMRTTE-UHFFFAOYAU
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Inherent Properties, Identifiers and References
ChemSpider ID: 2341170
Empirical Formula: C64H124O30
Molecular Weight: 1373.6514
Nominal Mass: 1372 Da
Average Mass: 1373.6514 Da
Monoisotopic Mass: 1372.817743 Da
Systematic Name: 1-[2,3-bis(2-hydroxybutoxy)-6-(2-hydroxybutoxymethyl)-5-[3,4,5-tr​is(2-hydroxybutoxy)-6-(2-hydroxybutoxymethyl)tetrahydropyran-2-yl​]oxy-tetrahydropyran-4-yl]oxybutan-2-ol; 3,4,5-trimethoxy-2-(meth​oxymethyl)-6-[4,5,6-trimethoxy-2-(methoxymethyl)tetrahydropyran-3​-yl]oxy-tetrahydropyran
SMILES: O(C)C2C(OC)C(OC)OC(COC)C2OC1OC(COC)C(OC)C(OC)C1OC.O(C1C(OC(OCC(O)​CC)C(OCC(O)CC)C1OCC(O)CC)COCC(O)CC)C2OC(C(OCC(O)CC)C(OCC(O)CC)C2O​CC(O)CC)COCC(O)CC
InChI: InChI=1/C44H86O19.C20H38O11/c1-9-27(45)17-53-25-35-37(55-19-29(47​)11-3)39(56-20-30(48)12-4)42(59-23-33(51)15-7)44(62-35)63-38-36(2​6-54-18-28(46)10-2)61-43(60-24-34(52)16-8)41(58-22-32(50)14-6)40(​38)57-21-31(49)13-5;1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)31​-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h27-52H,9-26H2,1-8H3​;11-20H,9-10H2,1-8H3
InChIKey: RPZANUYHRMRTTE-UHFFFAOYAU
Std. InChI: InChI=1S/C44H86O19.C20H38O11/c1-9-27(45)17-53-25-35-37(55-19-29(4​7)11-3)39(56-20-30(48)12-4)42(59-23-33(51)15-7)44(62-35)63-38-36(​26-54-18-28(46)10-2)61-43(60-24-34(52)16-8)41(58-22-32(50)14-6)40​(38)57-21-31(49)13-5;1-21-9-11-13(23-3)15(24-4)18(27-7)20(30-11)3​1-14-12(10-22-2)29-19(28-8)17(26-6)16(14)25-5/h27-52H,9-26H2,1-8H​3;11-20H,9-10H2,1-8H3
Std. InChIKey: RPZANUYHRMRTTE-UHFFFAOYSA-N
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

9041-56-9 [RN]

9083-50-5 [RN]

Cellulose​, hydroxy​butyl met​hyl ether

Hydroxybu​tyl methy​l cellulo​se

Hydroxybu​tyl methy​lcellulose

ACD/LogP: 3.01 # of Rule of 5 Violations: 3
ACD/LogD (pH 5.5): 3.01 ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 5.5): 114.79 ACD/BCF (pH 7.4): 114.79
ACD/KOC (pH 5.5): 1037.08 ACD/KOC (pH 7.4): 1037.08
#H bond acceptors: 19 #H bond donors: 8
#Freely Rotating Bonds: 44 Polar Surface Area: 175.37 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 525 °C Enthalpy of Vaporization: 155.91 kJ/mol
Boiling Point: 944.4 °C at 760 mmHg Vapour Pressure: 0 mmHg at 25°C