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N2F N-Glycan

CAT: 0926-ON29284-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-ON29284-01Size:1 mg
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CAS Number
108964-40-5
Synonyms
6-a-Fucosyl N, N'-Diacetylchitobiose;6-a-Fucosyl chitobiose; GlcNAc (b1-4) -[Fuc (a1-6) ]GlcNAc
Smiles
C[C@H]1[C@H] ([C@H] ([C@@H] ([C@@H] (O1) OC[C@H] ([C@H] ([C@@H] ([C@H] (C=O) NC (=O) C) O) O[C@H]2[C@@H] ([C@H] ([C@@H] ([C@H] (O2) CO) O) O) NC (=O) C) O) O) O) O
Molecular Formula
C22H38N2O15
Molecular Weight
570.54 g/mol
Controlled
No

Chemical Information

O-2-(Acetylamino)-2-deoxy-|A-D-glucopyranosyl-(1 inverted exclamation marku4)-O-[6-deoxy-|A-L-galactopyranosyl-(1 inverted exclamation marku6)]-2-(acetylamino)-2-deoxy-D-glucose
CAS Number108964-40-5
PubChem CID145710784
IUPAC NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R)-5-acetamido-2,4-dihydroxy-6-oxo-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Molecular FormulaC22H38N2O15
Molecular Weight570.5
XLogP-6.1
Topological Polar Surface Area274
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity820
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)NC(=O)C)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)O)O)O
InChI
InChI=1S/C22H38N2O15/c1-7-14(30)18(34)19(35)22(37-7)36-6-11(29)20(15(31)10(4-25)23-8(2)27)39-21-13(24-9(3)28)17(33)16(32)12(5-26)38-21/h4,7,10-22,26,29-35H,5-6H2,1-3H3,(H,23,27)(H,24,28)/t7-,10-,11+,12+,13+,14+,15+,16+,17+,18+,19-,20+,21-,22+/m0/s1
InChIKey
GABPZCPMDPOFMI-FYOAGJNVSA-N
Chemical Structure
2D Structure
2D structure of O-2-(Acetylamino)-2-deoxy-|A-D-glucopyranosyl-(1 inverted exclamation marku4)-O-[6-deoxy-|A-L-galactopyranosyl-(1 inverted exclamation marku6)]-2-(acetylamino)-2-deoxy-D-glucose
CAS: 108964-40-5
CID: 145710784
Formula: C22H38N2O15
MW: 570.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.5
XLogP3-6.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Exact Mass570.22721851
Monoisotopic Mass570.22721851
Topological Polar Surface Area274 Ų
Heavy Atom Count39
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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