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Search term: OS(=O)(=O)OC[C@H]1O[C@@](COS(O)(=O)=O)(O[C@H]2O[C@H](COS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | Sucrosofate | C12H22O35S8

Sucrosofate

  • Molecular FormulaC12H22O35S8
  • Average mass982.802 Da
  • Monoisotopic mass981.770752 Da
  • ChemSpider ID392225

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1,3,4,6-Tetra-O-sulfo-β-D-fructofuranosyl 2,3,4,6-tetra-O-sulfo-α-D-glucopyranoside [ACD/IUPAC Name]
1,3,4,6-Tetra-O-sulfo-β-D-fructofuranosyl-2,3,4,6-tetra-O-sulfo-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2,3,4,6-Tétra-O-sulfo-α-D-glucopyranoside de 1,3,4,6-tétra-O-sulfo-β-D-fructofuranosyle [French] [ACD/IUPAC Name]
57680-56-5 [RN]
P7V86EYZ5L
Sucrosofate [INN]
α-D-Glucopyranoside, 1,3,4,6-tetra-O-sulfo-β-D-fructofuranosyl, tetrakis(hydrogen sulfate) [ACD/Index Name]
(R)-RETRO-THIORPHAN
[(2S,3S,4R,5R)-4-sulfooxy-2,5-bis(sulfooxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxolan-3-yl] hydrogen sulfate
[(2S,3S,4R,5R)-4-sulfooxy-2,5-bis(sulfooxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-oxolan-3-yl] hydrogen sulfate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6618 [DBID]
RRT [DBID]

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.726
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 35
#H bond donors: 8
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -2.18
ACD/LogD (pH 5.5): -17.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -17.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 604 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 178.8±5.0 dyne/cm
Molar Volume: 390.8±5.0 cm3

Click to predict properties on the Chemicalize site


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