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D-Glucosamine 2-Sulfate

CAT: 1299-RM-G031911-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G031911-01Size:10 mg
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CAS Number
4607-22-1
Synonyms
((2R,3R,4S,5R) -3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) sulfamic acid
Molecular Formula
C6H13NO8S
Molecular Weight
259.23
Target Alternative Name
Glucosamine
Product Name Synonym
((2R,3R,4S,5R) -3,4,5,6-tetrahydroxy-1-oxohexan-2-yl) sulfamic acid

Chemical Information

Glucosamine 2-sulfate

structure in first source

CAS Number4607-22-1
PubChem CID197373
IUPAC Name[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]sulfamic acid
Molecular FormulaC6H13NO8S
Molecular Weight259.24
XLogP-4.1
Topological Polar Surface Area173
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity311
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)NS(=O)(=O)O)O)O)O)O
InChI
InChI=1S/C6H13NO8S/c8-1-3(7-16(13,14)15)5(11)6(12)4(10)2-9/h1,3-7,9-12H,2H2,(H,13,14,15)/t3-,4+,5+,6+/m0/s1
InChIKey
KZWHEHSUEBTKJM-SLPGGIOYSA-N
Chemical Structure
2D Structure
2D structure of Glucosamine 2-sulfate
CAS: 4607-22-1
CID: 197373
Formula: C6H13NO8S
MW: 259.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight259.24
XLogP3-4.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass259.03618755
Monoisotopic Mass259.03618755
Topological Polar Surface Area173 Ų
Heavy Atom Count16
Formal Charge0
Complexity311
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes