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β-D-Allopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranose

ChemSpider ID: 26328086
Molecular Formula: C24H42O21
Average mass: 666.577698 Da
Monoisotopic mass: 666.221863 Da
Systematic name

β-D-Allopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranose
SMILES and InChIs

SMILES:

C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O Copied

Std. InChI:

InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1 Copied

Std. InChIKey:

LUEWUZLMQUOBSB-KPFWSMLGSA-N Copied
Cite this record
CSID:26328086, http://www.chemspider.com/Chemical-Structure.26328086.html (accessed 12:43, May 25, 2012) Copied

Names and Identifiers

Names and Synonyms

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

α-D-Glucopyranose, O-β-D-allopyranosyl-(1->;4)-O-α-D-glucopyranosyl-(1->4)-O-α-D-glucopyranosyl-(1->4)- [ACD/Index Name]

β-D-Allopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranose [German] [ACD/IUPAC Name]

β-D-Allopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranose [ACD/IUPAC Name]

β-D-Allopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranose [French] [ACD/IUPAC Name]

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	-5.83±0.93	# of Rule of 5 Violations:	3
ACD/LogD (pH 5.5):	-5.83	ACD/LogD (pH 7.4):	-5.83
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	1.00	ACD/KOC (pH 7.4):	1.00
#H bond acceptors:	21	#H bond donors:	14
#Freely Rotating Bonds:	24	Polar Surface Area:	347.83 Å²
Index of Refraction:	1.687	Molar Refractivity:	138.2±0.4 cm³
Molar Volume:	362.8±5.0 cm³	Polarizability:	54.8±0.5 10^-24cm³
Surface Tension:	125.1±5.0 dyne/cm	Density:	1.8±0.1 g/cm³
Flash Point:	577.3±34.3 °C	Enthalpy of Vaporization:	170.6±6.0 kJ/mol
Boiling Point:	1030.9±65.0 °C at 760 mmHg	Vapour Pressure:	0.0±0.6 mmHg at 25°C

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β-D-Allopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranose

SMILES:

Std. InChI:

Std. InChIKey:

Names and Identifiers

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β-D-Allopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranosyl-(1->4)-α-D-glucopyranose

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Std. InChI:

Std. InChIKey:

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