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Product Overview

Product Code

TRC-R073000

CAS Number

17629-30-0

Product Format

Neat

Molecular Formula

C18 H32 O16 . 5 H2 O

Molecular Weight

594.51

Product Categories

TRC, Nutritional Composition Compounds Reference Materials

Product Type

Bioactive Small Molecule

Alternate CAS Number

Anhydrous: 512-69-6

Documentation

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Product Information

Chemical Data

Analyte Name

D-(+)-Raffinose pentahydrate

CAS Number

17629-30-0

Molecular Formula

C18 H32 O16 . 5 H2 O

Molecular Weight

594.51

Accurate Mass

594.2219

SMILES

O.O.O.O.O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O

InChI

InChI=1S/C18H32O16.5H2O/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18;;;;;/h5-17,19-29H,1-4H2;5*1H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+;;;;;/m1...../s1

IUPAC

(2S,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;pentahydrate

Alternate CAS Number

Anhydrous: 512-69-6

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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