(2RS) -Lotaustralin

CAT: 1407-AB1369Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1407-AB1369Size:10 mg

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

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CAS Number

1973415-50-7

Purity

98% (HPLC)

Molecular Formula

C11H19NO6

Molecular Weight

261.274

Chemical Information

(2RS)-Lotaustralin

CAS Number	1973415-50-7
PubChem CID	23638286
IUPAC Name	2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
Molecular Formula	C11H19NO6
Molecular Weight	261.27
XLogP	-1.1
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	329

SMILES

CCC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3/t6-,7-,8+,9-,10+,11?/m1/s1

InChIKey

WEWBWVMTOYUPHH-GXUZYPEDSA-N

Chemical Structure

2D Structure

CAS: 1973415-50-7

CID: 23638286

Formula: C11H19NO6

MW: 261.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	261.27
XLogP3	-1.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	261.12123733
Monoisotopic Mass	261.12123733
Topological Polar Surface Area	123 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	329
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TBW01095	(2RS)-Lotaustralin
M31631-01	(2RS) -Lotaustralin
371094	(2RS) -Lotaustralin discontinued
MBS5782450-01	Lotaustralin
TRC-L471250-25MG	(R)-Lotaustralin
TN1233-01	Iso-Lotaustralin
HY-W698586-01	(R) -Lotaustralin
ML36343-01	Rac-Lotaustralin
453916-01	Lotaustralin Tetraacetate
453915-01	Lotaustralin (Mixture of Diastereomers)