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β-D-GalNAc-PEG4-azide

CAT: 0862-GC6873-50mgSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0862-GC6873-50mgSize:50 mg
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CAS Number
879004-92-9
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Chemical Information

beta-Galnac-peg4-azide
CAS Number879004-92-9
PubChem CID129115265
IUPAC NameN-[(2R,3R,4R,5R,6R)-2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Molecular FormulaC16H30N4O9
Molecular Weight422.43
XLogP-1.6
Topological Polar Surface Area150
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Heavy Atom Count29
Formal Charge0
Complexity507
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCOCCOCCOCCN=[N+]=[N-])CO)O)O
InChI
InChI=1S/C16H30N4O9/c1-11(22)19-13-15(24)14(23)12(10-21)29-16(13)28-9-8-27-7-6-26-5-4-25-3-2-18-20-17/h12-16,21,23-24H,2-10H2,1H3,(H,19,22)/t12-,13-,14+,15-,16-/m1/s1
InChIKey
DWQAFMMYPUXSPI-IBEHDNSVSA-N
Chemical Structure
2D Structure
2D structure of beta-Galnac-peg4-azide
CAS: 879004-92-9
CID: 129115265
Formula: C16H30N4O9
MW: 422.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.43
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count15
Exact Mass422.20127855
Monoisotopic Mass422.20127855
Topological Polar Surface Area150 Ų
Heavy Atom Count29
Formal Charge0
Complexity507
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

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