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GlyTouCan:G65859HT

HCID 219993
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
512-69-6
Standard SMILES
OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O
InChIKey
MUPFEKGTMRGPLJ-UHFFFAOYSA-N
Molecular formula
C18H32O16
Average molar mass
504.4 g/mol
Monoisotopic mass
504.16903493

Overview

Hex-2-ulofuranosyl hexopyranosyl-(1->6)hexopyranoside is an oligosaccharide.

Names & identifiers

Preferred name
GlyTouCan:G65859HT
IUPAC
2-[[6-[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
English name
Raffinose
Molecular formula
C18H32O16
Molecular weight
504.44

Names & synonyms

RefChem:742210GlyTouCan:G65859HTG65859HThex-2-ulofuranosyl hexopyranosyl-(1->6)hexopyranosideNSC2025.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl O-.alpha.-D-galactopyranosyl-(1.fwdarw.6)-6227-50-5NSC170228orb1299181DTXSID50859429CHEBI:188714HMS5084N09
Show more names
D-RAFFINOSEmelitrioseCottonseed oligosaccharidesffinoseNSC 2025NSC26414RAFFINOSEgossyposeNSC 26414NSC-26414
NSC232077s5155STL560746AKOS037622174NSC-2320772-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolDB-046801DB-051933

Database identifiers

CAS
512-69-6
PubChem CID
219993
DTXSID

Properties

Computed structural properties

XLogP
-5.8
Topological polar surface area
269 Ų
Hydrogen bond donors
11
Hydrogen bond acceptors
16
Rotatable bonds
8
Heavy atoms
34
Formal charge
0
Complexity
655

Experimental & physicochemical properties

DrugsPharmaceuticals

Physicochemical properties

Melting point
81 ℃ · 81℃
Boiling point
513.84 °C · 513.84°C (rough estimate)
Density
1.81 · 1.81
refractive index
1.676 · 1.6760 (estimate)
storage temp.
2 · 2-8°C
solubility
100 mg/mL · |DMSO : 100 mg/mL (198.24 mM; Need ultrasonic)
form
Solid
pka
1 · pK1:12.74 (25°C)
color
White to Off-White
optical activity
83.4 · 83.4 (anhydrous)
Water Solubility
229.8 g/L · 229.8g/L(25 ºC)
Stability
Stable. Incompatible with strong oxidizing agents. Combustible.
Cosmetics Ingredients Functions

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed
hs_code
29389090
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
Hazard statements
H302
Precautionary statements
P501-P270-P264-P301+P312+P330

Chemistry & industry

Applications · 2 items

DescriptionRaffinose is also called melitose, melitriose, or gossypose.The term raffinose is derived from the French word raffiner (to refine),owing to the fact that it was identified first in the products of beet-sugar refining.Raffinose is found in sugar-beets in small quantities and also in cotton seeds.Raffinose is a trisaccharide composed of galactose, fructose, and glucose. It can be found in beans, cabbage, brussels sprouts, broccoli, asparagus, and other plants. In plants, raffinose is generated via binding of galactinol (a sugar alcohol) to sucrose. Raffinose has only 20 % of the sweetening intensity of sucrose.It is much more readily soluble in hot water than sucrose,consequently it remains in syrups and molasses during sugar refining process,especially in those products obtained from the process of extracting sugarfrom molasses.

UsesD-(+)-Raffinose is an oligosaccharide and trisaccharide whose physical structure and chemical properties have been shown to affect the stability and crystallization of amorphous sucrose, helping to increase the shelf-life of sucrose-containing foods.

Upstream & downstream products

Downstream products

Spinosyn ASpinosad DLactic acidSucraloseDiacetonefructose
Additional notes · 1 item

DefinitionChEBI: Raffinose is a trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 1<->2 glycosidic linkages, respectively. It has a role as a plant metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is a raffinose family oligosaccharide and a trisaccharide.

Related reactions

1 records
New reaction record
HRID 2130990 reaction equation
HRID 2130990As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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DTXSID50859429
ChEBI
CHEBI:188714
SKIN CONDITIONING
LogP
-5.104 · -5.104 (est)
CAS DataBase Reference
512 · 512-69-6(CAS DataBase Reference)
EWG's Food Scores
1 · 1
FDA UNII
5 O3QU595M · N5O3QU595M
EPA Substance Registry System
.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl O-.alpha.-D-galactopyranosyl-(1.fwdarw.6)- (512-69-6)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
501 · P501-P270-P264-P301+P312+P330
Safety Statements
24 · 24/25
TSCA
TSCA listed
HS Code
29389090 · 29389090