ANT3310

CAT: 0127-BUP04656-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP04656-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2410688-61-6

Purity

=98%

Smiles

[Na+].[O-]S(=O)(=O)ON1[C@H]2CN([C@H](F)CC2)C1=O

Chemical Information

ANT3310 sodium

CAS Number	2410688-61-6
PubChem CID	153516440
IUPAC Name	sodium [(2R,5R)-2-fluoro-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
Molecular Formula	C6H8FN2NaO5S
Molecular Weight	262.19
Topological Polar Surface Area	98.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	385

SMILES

C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)[O-])F.[Na+]

InChI

InChI=1S/C6H9FN2O5S.Na/c7-5-2-1-4-3-8(5)6(10)9(4)14-15(11,12)13;/h4-5H,1-3H2,(H,11,12,13);/q;+1/p-1/t4-,5+;/m1./s1

InChIKey

UIJIKXQAJBMNIR-JBUOLDKXSA-M

Chemical Structure

2D Structure

CAS: 2410688-61-6

CID: 153516440

Formula: C6H8FN2NaO5S

MW: 262.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.19
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	262.00356498
Monoisotopic Mass	262.00356498
Topological Polar Surface Area	98.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	385
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
M28513-01	ANT3310
463638	ANT3310 sodium