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Chondroitin disaccharide Δdi-0S

CAT: 1299-RM-C565001-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C565001-01Size:10 mg
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CAS Number
63527-80-0
Synonyms
(2R,3R,4S) -2- (((2R,3R,4S,5R) -2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl) oxy) -3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Molecular Formula
C14H21NO11
Molecular Weight
379.32
Target Alternative Name
Chondroitin
Product Name Synonym
(2R,3R,4S) -2- (((2R,3R,4S,5R) -2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl) oxy) -3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Chemical Information

Chondroitin disaccharide deltadi-0S
CAS Number63527-80-0
PubChem CID91864450
IUPAC Name(2R,3R,4S)-2-[(2R,3R,4S,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Molecular FormulaC14H21NO11
Molecular Weight379.32
XLogP-4.2
Topological Polar Surface Area203
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity551
SMILES
CC(=O)N[C@@H](C=O)[C@H]([C@H]([C@@H](CO)O)O)O[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)O
InChI
InChI=1S/C14H21NO11/c1-5(18)15-6(3-16)12(10(21)8(20)4-17)26-14-11(22)7(19)2-9(25-14)13(23)24/h2-3,6-8,10-12,14,17,19-22H,4H2,1H3,(H,15,18)(H,23,24)/t6-,7-,8+,10-,11+,12+,14-/m0/s1
InChIKey
AALORNCJXUQNQW-WIHAIFTMSA-N
Chemical Structure
2D Structure
2D structure of Chondroitin disaccharide deltadi-0S
CAS: 63527-80-0
CID: 91864450
Formula: C14H21NO11
MW: 379.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.32
XLogP3-4.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass379.11146049
Monoisotopic Mass379.11146049
Topological Polar Surface Area203 Ų
Heavy Atom Count26
Formal Charge0
Complexity551
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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