LX-2931

CAT: 0013-GTR19197233-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19197233-01Size:1 mg

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Description

LX-2931

CAS Number

948840-25-3

Product Name Alternative

S1P, S1P Receptor, S1PReceptor, ACB 20034, ACB20034, ACB-20034, LX2931, LX-2931, LX3305, LX-3305, LX 2931, LX 3305

Field of Research

Pharmacology & Drug Discovery

Purity

98.85% (May vary between batches)

Solubility

DMSO:100 mg/mL (407.78 mM)

Smiles

[C@@H] ([C@@H] ([C@@H] (CO) O) O) (O) C=1NC (\C (=N\O) \C) =NC1

Molecular Formula

C9H15N3O5

Molecular Weight

245.23

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Lx-2931

CAS Number	948840-25-3
PubChem CID	135564845
IUPAC Name	(1R,2S,3R)-1-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-imidazol-5-yl]butane-1,2,3,4-tetrol
Molecular Formula	C9H15N3O5
Molecular Weight	245.23
XLogP	-2.4
Topological Polar Surface Area	142
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	275

SMILES

C/C(=N\O)/C1=NC=C(N1)[C@H]([C@@H]([C@@H](CO)O)O)O

InChI

InChI=1S/C9H15N3O5/c1-4(12-17)9-10-2-5(11-9)7(15)8(16)6(14)3-13/h2,6-8,13-17H,3H2,1H3,(H,10,11)/b12-4+/t6-,7-,8-/m1/s1

InChIKey

AMXVYJYMZLDINS-RSWLNLDNSA-N

Chemical Structure

2D Structure

CAS: 948840-25-3

CID: 135564845

Formula: C9H15N3O5

MW: 245.23

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	245.23
XLogP3	-2.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	245.10117059
Monoisotopic Mass	245.10117059
Topological Polar Surface Area	142 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	275
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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