ChemFOnt: Showing chemical card for Fructose-1P (CFc000042950)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:45:44 UTC

Chemfont ID

CFc000042950

Molecule Identification

Common Name

Fructose-1P

Definition

Fructose-1P, also known as D-(-)-Fructose or D-(-)-Levulose, is classified as a member of the Monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. Fructose-1P is considered to be soluble (in water) and acidic

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
D-(-)-Fructose	ChEBI
D-(-)-Levulose	ChEBI
D-Fructose	ChEBI
Fructon	Kegg
Levulosa, fleboplast	MeSH
Levulose	MeSH
Levulosa mein	MeSH
Levulosado bieffe medit	MeSH
Levulosa baxter	MeSH
Levulosa ife	MeSH
Levulosa	MeSH
Levulosa, apir	MeSH
Fructose	MeSH
Levulosa grifols	MeSH
Fleboplast levulosa	MeSH
Levulosa braun	MeSH
Levulosado vitulia	MeSH
Plast apyr levulosa mein	MeSH
Levulosado braun	MeSH
Levulosa ibys	MeSH
Apir levulosa	MeSH

Chemical Formula

C₆H₁₂O₆

Average Molecular Weight

180.1559

Monoisotopic Molecular Weight

180.063388116

IUPAC Name

(3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one

Traditional Name

keto-D-fructose

CAS Registry Number

57-48-7

SMILES

[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)C(=O)CO

InChI Identifier

InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1

InChI Key

BJHIKXHVCXFQLS-UYFOZJQFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharides

Alternative Parents

Substituents

Monosaccharide
Beta-hydroxy ketone
Acyloin
Alpha-hydroxy ketone
Secondary alcohol
Ketone
Polyol
Organic oxide
Hydrocarbon derivative
Primary alcohol
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

D-fructose (CHEBI:48095 )
keto-fructose (CHEBI:48095 )

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0062538)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Fructose Metabolism (PathBank: SMP0002314)

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	399 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-3.3	ChemAxon
logS	0.35	ALOGPS
pKa (Strongest Acidic)	9.48	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	118.22 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	37.56 m³·mol⁻¹	ChemAxon
Polarizability	16.3 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon