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Ac4ManNAz

CAT: 0127-BUP14330-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP14330-06Size:100 mg
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CAS Number
361154-30-5
Purity
=98%
Smiles
O(C(C)=O)[C@@H]1[C@H](NC(CN=[N+]=[N-])=O)C(OC(C)=O)O[C@H](COC(C)=O)[C@H]1OC(C)=O

Chemical Information

Ac4ManNAz
CAS Number361154-30-5
PubChem CID71311757
IUPAC Name[(2R,3S,4R,5S)-3,4,6-triacetyloxy-5-[(2-azidoacetyl)amino]oxan-2-yl]methyl acetate
Molecular FormulaC16H22N4O10
Molecular Weight430.37
XLogP1.2
Topological Polar Surface Area158
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity736
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC(=O)C)NC(=O)CN=[N+]=[N-])OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H22N4O10/c1-7(21)26-6-11-14(27-8(2)22)15(28-9(3)23)13(16(30-11)29-10(4)24)19-12(25)5-18-20-17/h11,13-16H,5-6H2,1-4H3,(H,19,25)/t11-,13+,14-,15-,16?/m1/s1
InChIKey
HGMISDAXLUIXKM-LIADDWGISA-N
Chemical Structure
2D Structure
2D structure of Ac4ManNAz
CAS: 361154-30-5
CID: 71311757
Formula: C16H22N4O10
MW: 430.37
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.37
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Exact Mass430.13359291
Monoisotopic Mass430.13359291
Topological Polar Surface Area158 Ų
Heavy Atom Count30
Formal Charge0
Complexity736
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA9533-10Ac4ManNAz
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E7558-5mgAc4ManNAz (80% α isomer)
JBS-CLK-1084-100Ac4ManNAz (100 mg)
3159-5mgAc4ManNAz (N-Azidoacetylmannosamine-tetraacylated), 5 mg
3159-25mgAc4ManNAz (N-Azidoacetylmannosamine-tetraacylated), 25 mg
3159-100mgAc4ManNAz (N-Azidoacetylmannosamine-tetraacylated), 100 mg

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