Fagomine

CAT: 0607-BA7748-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA7748-1Size:1 mg

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CAS Number

53185-12-9

Form

A solid

Molecular Formula

C6H13NO3

Molecular Weight

147.17

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Fagomine

Fagomine is a member of piperidines.

CAS Number	53185-12-9
PubChem CID	72259
IUPAC Name	(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol
Molecular Formula	C6H13NO3
Molecular Weight	147.17
XLogP	-1.4
Topological Polar Surface Area	72.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	109

SMILES

C1CN[C@@H]([C@H]([C@@H]1O)O)CO

InChI

InChI=1S/C6H13NO3/c8-3-4-6(10)5(9)1-2-7-4/h4-10H,1-3H2/t4-,5-,6-/m1/s1

InChIKey

YZNNBIPIQWYLDM-HSUXUTPPSA-N

Chemical Structure

2D Structure

CAS: 53185-12-9

CID: 72259

Formula: C6H13NO3

MW: 147.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.17
XLogP3	-1.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	147.08954328
Monoisotopic Mass	147.08954328
Topological Polar Surface Area	72.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	109
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA1890-5	γ-Fagarine
BA1890-1	γ-Fagarine