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(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)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

1 hit(s) found in 0.06 seconds
Search term: RPZANUYHRMRTTE-UHFFFAOYAU
Found by InChIKey (full match)

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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-tris(2-hydroxybutoxy)-6-(2-hydroxybutoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxybutan-2-ol; 3,4,5-trimethoxy-2-(methoxymethyl)-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)C2OCC(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(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)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(47)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)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

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, hydroxybutyl methyl ether

Hydroxybutyl methyl cellulose

Hydroxybutyl methylcellulose

ACD/Labs Predicted Properties

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