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1-Naphthyl-β-D-glucuronide sodium

CAT: 0013-GTR19246526-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19246526-01Size:250 mg
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Description
1-Naphthyl-β-D-glucuronide sodium is a reagent used in biochemical reactions.
CAS Number
83833-12-9
Smiles
O=C (O[Na]) [C@H] ([C@H] ([C@@H] ([C@H]1O) O) O) O[C@H]1OC2=CC=CC3=C2C=CC=C3
Molecular Formula
C16H15NaO7
Molecular Weight
342.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(naphthalen-1-yloxy)tetrahydro-2H-pyran-2-carboxylate
CAS Number83833-12-9
PubChem CID44152247
IUPAC Namesodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-naphthalen-1-yloxyoxane-2-carboxylate
Molecular FormulaC16H15NaO7
Molecular Weight342.27
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity435
SMILES
C1=CC=C2C(=C1)C=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+]
InChI
InChI=1S/C16H16O7.Na/c17-11-12(18)14(15(20)21)23-16(13(11)19)22-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,11-14,16-19H,(H,20,21);/q;+1/p-1/t11-,12-,13+,14-,16+;/m0./s1
InChIKey
NYYIXWAJCYTTOL-YYHOVTOASA-M
Chemical Structure
2D Structure
2D structure of Sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(naphthalen-1-yloxy)tetrahydro-2H-pyran-2-carboxylate
CAS: 83833-12-9
CID: 44152247
Formula: C16H15NaO7
MW: 342.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.27
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass342.07154710
Monoisotopic Mass342.07154710
Topological Polar Surface Area119 Ų
Heavy Atom Count24
Formal Charge0
Complexity435
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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