Thiodiglucoside

CAT: 0024-sc-222353Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-222353Size:100 mg

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CAS Number

108392-13-8

Chemical Information

beta-D-Glucopyranosyl 1-thio-beta-D-glucopyranoside

CAS Number	108392-13-8
PubChem CID	15705426
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-3,4,5-triol
Molecular Formula	C12H22O10S
Molecular Weight	358.36
XLogP	-3.4
Topological Polar Surface Area	206
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	353

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O

InChI

InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m1/s1

InChIKey

SYKYBMOFPMXDRQ-NCFXGAEVSA-N

Chemical Structure

2D Structure

CAS: 108392-13-8

CID: 15705426

Formula: C12H22O10S

MW: 358.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	358.36
XLogP3	-3.4
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Exact Mass	358.09336807
Monoisotopic Mass	358.09336807
Topological Polar Surface Area	206 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	353
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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
297798-01	Thiodiglucoside