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Octaacetyl sucrose

Molecular FormulaC₂₈H₃₈O₁₉
Average mass678.590 Da
Monoisotopic mass678.200745 Da
ChemSpider ID29073

- 9 of 9 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

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

1,3,4,6-Tetra-O-acetyl-b-D-fructofuranosyl 2,3,4,6-tetra-O-acetyl-a-D-glucopyranoside

1,3,4,6-Tetra-O-acetyl-β-D-fructofuranosyl 2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside [ACD/IUPAC Name]

1,3,4,6-Tetra-O-acetyl-β-D-fructofuranosyl-2,3,4,6-tetra-O-acetyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]

126-14-7 [RN]

2,3,4,6-Tétra-O-acétyl-α-D-glucopyranoside de 1,3,4,6-tétra-O-acétyl-β-D-fructofuranosyle [French] [ACD/IUPAC Name]

204-772-1 [EINECS]

Octaacetyl sucrose

Sucrose octaacetate

α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl, tetraacetate [ACD/Index Name]

(2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate

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[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate

[(2R,3R,4S,5S)-3,4-bis(acetyloxy)-5-[(acetyloxy)methyl]-5-{[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxolan-2-yl]methyl acetate

[(2S,3S,4R,5R)-4-acetoxy-2,5-bis(acetoxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl] acetate

[(2S,3S,4R,5R)-4-acetyloxy-2,5-bis(acetyloxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxolan-3-yl] acetate

[(2S,3S,4R,5R)-4-acetyloxy-2,5-bis(acetyloxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-oxolan-3-yl] ethanoate

[126-14-7] [RN]

{(4S,2R,3R,5R,6R)-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yloxy]-3,4,5-triacetyloxy-2H-3,4,5,6-tetrahydropyran-2-yl}methyl acetate

1,2,3,4-Tetra-O-acetyl-β-D-fructofuranosyl-α-D-glucopyranoside tetraacetate

1,3,4,6-Tetra-O-acetyl-β-D-fructofuranosyl-α-D-glucopyrano- side tetraacetate

1,3,4,6-Tetra-O-acetyl-β-D-fructofuranosyl-α-D-glucopyranoside tetraacetate

2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose

5-17-08-00410 (Beilstein Handbook Reference) [Beilstein]

acetic acid [(2S,3S,4R,5R)-4-acetoxy-2,5-bis(acetoxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl] ester

acetic acid [(2S,3S,4R,5R)-4-acetoxy-2,5-bis(acetoxymethyl)-2-[[(2R,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)-2-tetrahydropyranyl]oxy]-3-tetrahydrofuranyl] ester

acetic acid [3,4,5-triacetyloxy-6-[[3,4-diacetyloxy-2,5-bis(acetyloxymethyl)-2-oxolanyl]oxy]-2-oxanyl]methyl ester

a-D-Glucopyranoside,1,3,4,6-tetra-O-acetyl-b-D-fructofuranosyl, 2,3,4,6-tetraacetate

BS-15102

D-()-Sucrose octaacetate

D-(+)-SACCHAROSE OCTAACETATE

D-(+)-Sucrose octaacetate

d-(+)-sucroseoctaacetate

D05935

EINECS 204-772-1

MFCD00006623 [MDL number]

MFCD00933758 [MDL number]

NCGC00160615-01

Octaacetyl sucrose(Saccharose Octaacetate)

Octaacetylsucrose

Octa-O-acetyl D-(+)-Saccharose

Octa-O-acetyl D-(+)-Sucrose

Octa-O-acetyl D-(+)-Surcose

Octa-O-acetylsucrose

SOA

sucrose octa-acetate

Sucrose octaacetate (NF)

WN6620000 [RTECS]

α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl, 2,3,4,6-tetraacetate

α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl, tetracetate

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

07V591057T [DBID]

3038 [DBID]

79290 [DBID]

252603_ALDRICH [DBID]

84112_FLUKA [DBID]

AI3-00071 [DBID]

BRN 0079290 [DBID]

FEMA No. 3038 [DBID]

NSC 1695 [DBID]

UNII:07V591057T [DBID]

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

References
- Fema No:
  
  3038 Sigma-Aldrich ALDRICH-W303801
Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  86 °C TCI S0052
  
  82-85 °C Sigma-Aldrich USP-1623615
- Experimental Boiling Point:
  
  260 °C Sigma-Aldrich USP-1623615
Predicted Physico-chemical Properties
- Predicted Melting Point:
  
  86 °C TCI
  
  86 °C TCI S0052

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

Density:	1.4±0.1 g/cm³
Boiling Point:	668.3±55.0 °C at 760 mmHg
Vapour Pressure:	0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization:	98.2±3.0 kJ/mol
Flash Point:	275.0±31.5 °C
Index of Refraction:	1.509
Molar Refractivity:	147.5±0.4 cm³
#H bond acceptors:	19
#H bond donors:	0
#Freely Rotating Bonds:	21
#Rule of 5 Violations:	2

ACD/LogP:	3.19
ACD/LogD (pH 5.5):	2.35
ACD/BCF (pH 5.5):	35.98
ACD/KOC (pH 5.5):	452.30
ACD/LogD (pH 7.4):	2.35
ACD/BCF (pH 7.4):	35.98
ACD/KOC (pH 7.4):	452.30
Polar Surface Area:	238 Å²
Polarizability:	58.5±0.5 10^-24cm³
Surface Tension:	53.6±5.0 dyne/cm
Molar Volume:	494.5±5.0 cm³

Click to predict properties on the Chemicalize site

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Octaacetyl sucrose

More details:

Fema No:

Experimental Melting Point:

Experimental Boiling Point:

Predicted Melting Point:

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