Glyco-SNAP-2

CAT: 0024-sc-218911ASize: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-218911ASize:50 mg

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CAS Number

188849-82-3

Chemical Information

Glyco-snap-2

CAS Number	188849-82-3
PubChem CID	3413551
IUPAC Name	2-acetamido-3-methyl-3-nitrososulfanyl-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
Molecular Formula	C13H23N3O8S
Molecular Weight	381.40
XLogP	-2.6
Topological Polar Surface Area	203
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	506

SMILES

CC(=O)NC(C(=O)NC1C(C(C(OC1O)CO)O)O)C(C)(C)SN=O

InChI

InChI=1S/C13H23N3O8S/c1-5(18)14-10(13(2,3)25-16-23)11(21)15-7-9(20)8(19)6(4-17)24-12(7)22/h6-10,12,17,19-20,22H,4H2,1-3H3,(H,14,18)(H,15,21)

InChIKey

MPJKBQQBYUJGPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 188849-82-3

CID: 3413551

Formula: C13H23N3O8S

MW: 381.40

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	381.40
XLogP3	-2.6
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	381.12058587
Monoisotopic Mass	381.12058587
Topological Polar Surface Area	203 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	506
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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