5-epi-isofagomine

CAT: 0926-ME22730-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-ME22730-01Size:1 mg

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CAS Number

202979-51-9

Synonyms

5-epi- (3R,4R,5R) -5- (hydroxymethyl) -3,4-piperidinediol; (3R,4R,5S) -5- (Hydroxymethyl) -3,4-piperidinediol

MDL Number

MFCD18834423

Smiles

C1[C@H] ([C@H] ([C@@H] (CN1) O) O) CO

Molecular Formula

C6H13NO3

Molecular Weight

147.17 g/mol

Controlled

Chemical Information

5-epi-Isofagomine

CAS Number	202979-51-9
PubChem CID	10820691
IUPAC Name	(3R,4R,5S)-5-(hydroxymethyl)piperidine-3,4-diol
Molecular Formula	C6H13NO3
Molecular Weight	147.17
XLogP	-1.5
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

C1[C@H]([C@H]([C@@H](CN1)O)O)CO

InChI

InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5+,6+/m0/s1

InChIKey

QPYJXFZUIJOGNX-KVQBGUIXSA-N

Chemical Structure

2D Structure

CAS: 202979-51-9

CID: 10820691

Formula: C6H13NO3

MW: 147.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.17
XLogP3	-1.5
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
UGA10589-01	Isofagomine
MI45273-01	Isofagomine hydrochloride
MI24675-01	Isofagomine D-tartrate
NE22708-01	5'-Epi lamivudine
MT64723-01	Tri-O-benzyl-isofagomine hydrochloride
ID183168-01	5-Deoxy-Δ5,6-8-epi-tacrolimus
EKB30514-01	3,5-Dicaffeoyl-epi-quinic acid
NE16712-01	3'-epi-5-chloro-2'-deoxyuridine
TAC23746-01	3’-Epi gemcitabine 3’,5’-dibenzoate
NE16710-01	1'-Epi gemcitabine 3',5'-dibenzoate

Catalog	Name
293391-01	5-epi-isofagomine
MBS6050610-01	5-epi-Isofagomine (5-epi-(3R,4R,5R)-5-(Hydroxymethyl)-3,4-piperidinediol)
I8870-10	5-epi-Isofagomine (5-epi- (3R,4R,5R) -5- (Hydroxymethyl) -3,4-piperidinediol)
TRC-I816015-500MG	Isofagomine
MC11049-01	Isofagomine Tartrate
TRC-I816010-50MG	Isofagomine D-Tartrate
sc-507568	Isofagomine (D-tartrate) in Solution
T75535-01	5-epi-Arvestonate A
296111-01	5'-Epi lamivudine
TRC-E524980-1MG	5-epi Emtricitabine