Rutinose Heptaacetate

CAT: 0572-TRC-R701788-10MGSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-R701788-10MGSize:10 mg

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CAS Number

29202-64-0

Synonyms

1,2,3,4-tetraacetate-6-O-(2,3,4-tri-O-acetyl-6-deoxy-α-L-mannopyrasonyl)-D-glucopyranose; Heptaacetylrutinose

Hazard Statement

Harmful if swallowed.

Purity

>95% (HPLC)

Smiles

C[C@@H]1O[C@@H](OC[C@H]2OC(OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]2OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C

Molecular Formula

C26 H36 O17

Molecular Weight

620.55

InChI

InChI=1S/C26H36O17/c1-10-19(36-11(2)27)21(38-13(4)29)23(40-15(6)31)25(35-10)34-9-18-20(37-12(3)28)22(39-14(5)30)24(41-16(7)32)26(43-18)42-17(8)33/h10,18-26H,9H2,1-8H3/t10-,18+,19-,20+,21+,22-,23+,24+,25+,26?/m0/s1

Additionnal Information

IUPAC name: [(2S,3S,4R,5R,6R)-4,5-diacetoxy-2-methyl-6-[[(2R,3R,4S,5R)-3,4,5,6-tetraacetoxytetrahydropyran-2-yl]methoxy]tetrahydropyran-3-yl] acetate

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Rutinose heptaacetate

CAS Number	29202-64-0
PubChem CID	44630334
IUPAC Name	[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-3-yl] acetate
Molecular Formula	C26H36O17
Molecular Weight	620.6
XLogP	-0.2
Topological Polar Surface Area	212
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	17
Heavy Atom Count	43
Formal Charge	0
Complexity	1070

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChIKey

LUCVIXHBPBCYCD-QLANJSEWSA-N

Chemical Structure

2D Structure

CAS: 29202-64-0

CID: 44630334

Formula: C26H36O17

MW: 620.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	620.6
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	17
Exact Mass	620.19524968
Monoisotopic Mass	620.19524968
Topological Polar Surface Area	212 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19245084-01	Rutinose Heptaacetate
T123951-01	Rutinose
BBA18496	β-Rutinose
ON08095-01	Neohesperidose heptaacetate
HY-N2957	Brachynoside heptaacetate
sc-491108	β-Maltose heptaacetate
RM-D090911-01	Diosmin Impurity 11; Rutinose
MBS5760842	Quercetin-3-o-rutinose

Rutinose Heptaacetate

Chemical Information

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