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Alpha-D-Glucosamine Pentaacetate

CAT: 0572-TRC-G515001-25GSize: 25 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-G515001-25GSize:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7784-54-5
Synonyms
2-(Acetylamino)-2-deoxy-alpha-D-glucopyranose 1,3,4,6-Tetraacetate; 1,3,4,6-Tetra-O-acetyl-2-acetamido-2-deoxy-alpha-D-glucopyranose; N-Acetyl-alpha-D-glucosamine Tetraacetate; NSC 231931;
Hazard Statement
No Data Available
Smiles
CC(=O)N[C@H]1[C@@H](OC(=O)C)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Molecular Formula
C16H23NO10
Molecular Weight
389.35
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

alpha-D-Glucopyranose, 2-(acetylamino)-2-deoxy-, 1,3,4,6-tetraacetate
CAS Number7784-54-5
PubChem CID99515
IUPAC Name[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
Molecular FormulaC16H23NO10
Molecular Weight389.35
XLogP0.1
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity604
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)/t12-,13-,14-,15-,16+/m1/s1
InChIKey
OVPIZHVSWNOZMN-QCODTGAPSA-N
Chemical Structure
2D Structure
2D structure of alpha-D-Glucopyranose, 2-(acetylamino)-2-deoxy-, 1,3,4,6-tetraacetate
CAS: 7784-54-5
CID: 99515
Formula: C16H23NO10
MW: 389.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight389.35
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass389.13219593
Monoisotopic Mass389.13219593
Topological Polar Surface Area144 Ų
Heavy Atom Count27
Formal Charge0
Complexity604
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes