SP187

CAT: 0127-BUP05310-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05310-02Size:10 mg

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

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CAS Number

615253-61-7

Synonyms

UV4, MON-?DNJ

Purity

=98%

Smiles

COCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO

Chemical Information

N-9-Methoxynonyldeoxynojirimycin

inhibits both alpha-glucosidases I and II in the endoplasmic reticulum

CAS Number	615253-61-7
PubChem CID	503982
IUPAC Name	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol
Molecular Formula	C16H33NO5
Molecular Weight	319.44
XLogP	1
Topological Polar Surface Area	93.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Heavy Atom Count	22
Formal Charge	0
Complexity	279

SMILES

COCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O

InChI

InChI=1S/C16H33NO5/c1-22-10-8-6-4-2-3-5-7-9-17-11-14(19)16(21)15(20)13(17)12-18/h13-16,18-21H,2-12H2,1H3/t13-,14+,15-,16-/m1/s1

InChIKey

TYTARGBBJQKLAJ-QKPAOTATSA-N

Chemical Structure

2D Structure

CAS: 615253-61-7

CID: 503982

Formula: C16H33NO5

MW: 319.44

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	319.44
XLogP3	1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	11
Exact Mass	319.23587315
Monoisotopic Mass	319.23587315
Topological Polar Surface Area	93.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
MBS5755546	SP187
HY-108023	SP187 (hydrochloride)