a-D-Glucopyranuroni...

a-D-Glucopyranuronic acid, methylester, tetraacetate (9CI) 5432-32-6

a-D-Glucopyranuronic acid, methylester, tetraacetate (9CI) 5432-32-6

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Keywords

a-D-Glucopyranuronic acid, methylester, tetraacetate (9CI) 5432-32-6 C15H20 O11

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

【Name】
a-D-Glucopyranuronic acid, methylester, tetraacetate (9CI)
【CAS Registry number】
5432-32-6
【Synonyms】
Glucopyranuronicacid, methyl ester, tetraacetate, a-D- (6CI,8CI)
Methyl(1,2,3,4-tetra-O-acetyl-a-D-glucopyranosid)uronate
NSC 16926
【Molecular Formula】
C15H20 O11 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1S/C15H20O11/c1-6(16)22-10-11(23-7(2)17)13(24-8(3)18)15(25-9(4)19)26-12(10)14(20)21-5/h10-13,15H,1-5H3
【Canonical SMILES】
CC(=O)OC1C(C(OC(C1OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C
【MOL File】
5432-32-6.mol
Chemical and Physical Properties
【Density】
1.33g/cm3
【Boiling Point】
412.3°Cat760mmHg
【Flash Point】
178.4°C
【Computed Properties】
Molecular Weight:376.3127 [g/mol]
Molecular Formula:C15H20O11
XLogP3-AA:-0.3
H-Bond Donor:0
H-Bond Acceptor:11
Rotatable Bond Count:10
Exact Mass:376.100561
MonoIsotopic Mass:376.100561
Topological Polar Surface Area:141
Heavy Atom Count:26
Formal Charge:0
Complexity:584
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Ring Count:1
Effective Rotor Count:11.2
Conformer Sampling RMSD:1
CID Conformer Count:331

 

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