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Melezitose

Molecular FormulaC₁₈H₃₂O₁₆
Average mass504.437 Da
Monoisotopic mass504.169037 Da
ChemSpider ID83787

- 14 of 14 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(+)-Melezitose

(2R,3R,4S,5S,6R,2'R,3'R,4'S,5'S,6'R)-2,2'-{[(2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3-diyl]bis(oxy)}bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol]

(2R,3R,4S,5S,6R,2'R,3'R,4'S,5'S,6'R)-2,2'-{[(2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxyméthyl)tétrahydrofurane-2,3-diyl]bis(oxy)}bis[6-(hydroxyméthyl)tétrahydro-2H-pyran-3,4,5-triol]

209-894-9 [EINECS]

597-12-6 [RN]

D-(+)-Melezitose

D-Melezitose

Melezitose [Wiki]

O-a-D-Glucopyranosyl-(1®3)-b-D-fructofuranosyl-a-D-glucopyranoside

T4T25QN29L

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α-D-Glucopyranoside de α-D-glucopyranosyl-(1->3)-β-D-fructofuranosyle [French] [ACD/IUPAC Name]

α-D-Glucopyranoside, O-α-D-glucopyranosyl-(1->3)-β-D-fructofuranosyl [ACD/Index Name]

α-D-Glucopyranosyl-(1->3)-β-D-fructofuranosyl α-D-glucopyranoside [ACD/IUPAC Name]

α-D-Glucopyranosyl-(1->3)-β-D-fructofuranosyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]

α-D-Glucopyranosyl-(1->3)-β-D-fructofuranosyl-α-D-glucopyranoside

(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-{[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-{[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

?-D-glucopyranosyl(1->3)-?-D-fructofuranosyl(2->1)-?-D-glucopyranoside

[597-12-6] [RN]

101833-69-6 [RN]

207511-10-2 [RN]

47740-04-5 [RN]

6/12/597

BB_NC-1404

D-((addition))-Melezitose

EINECS 209-894-9

Glc(α1-3)Fruf(β2-1α)Glc

https://www.ebi.ac.uk/chembl/compound_reportcard/CHEMBL386007/

Melicitose

melizitose

MFCD00006627 [MDL number]

MFCD00149448 [MDL number]

O-&α;-D-glucopyranosyl-(1,3)-&β;-D-fructofuranosyl-&α;-D-glucopyranoside

O-?-D-Glucopyranosyl-(1?3)-?-D-fructofuranosyl-?-D-glucopyranoside

O-α-D-glucopyranosyl-(1-3)-β-D-fructofuranosyl-α-D-glucopyranoside

UNII:T4T25QN29L

UNII-T4T25QN29L

α-D-Glucopyranoside, O-α-D-glucopyranosyl-(1-3)-β-D-fructofuranosyl-

松三糖 [Chinese]

Less...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-19426 [DBID]

AIDS014663 [DBID]

AIDS-014663 [DBID]

C08243 [DBID]

CHEBI:6731 [DBID]

NSC 2080 [DBID]

NSC2080 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  153 °C TCI M0049
Predicted Physico-chemical Properties
- Predicted Melting Point:
  
  153 °C TCI
  
  153 °C TCI M0049
Miscellaneous
- Chemical Class:
  
  A trisaccharide produced by insects such as aphids. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6731, CHEBI:6731

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.8±0.1 g/cm³
Boiling Point:	881.8±65.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization:	145.6±6.0 kJ/mol
Flash Point:	487.1±34.3 °C
Index of Refraction:	1.676
Molar Refractivity:	104.6±0.4 cm³
#H bond acceptors:	16
#H bond donors:	11
#Freely Rotating Bonds:	8
#Rule of 5 Violations:	3

ACD/LogP:	-5.79
ACD/LogD (pH 5.5):	-5.57
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	1.00
ACD/LogD (pH 7.4):	-5.57
ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 7.4):	1.00
Polar Surface Area:	269 Å²
Polarizability:	41.5±0.5 10^-24cm³
Surface Tension:	120.8±5.0 dyne/cm
Molar Volume:	277.9±5.0 cm³

Click to predict properties on the Chemicalize site

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Melezitose

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Experimental Melting Point:

Predicted Melting Point:

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