1,4-β-D-Xylobiitol

CAT: 0926-OX61668-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-OX61668-01Size:25 mg

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CAS Number

20237-70-1

Smiles

O ([C@@H] ([C@@H] ([C@H] (CO) O) O) CO) [C@H]1[C@H] (O) [C@@H] (O) [C@H] (O) CO1

Molecular Formula

C10H20O9

Molecular Weight

284.26 g/mol

Controlled

Chemical Information

1,4-b-D-Xylobiitol

CAS Number	20237-70-1
PubChem CID	101289658
IUPAC Name	(2S,3R,4R)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentane-1,2,3,5-tetrol
Molecular Formula	C10H20O9
Molecular Weight	284.26
XLogP	-4.5
Topological Polar Surface Area	160
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	263

SMILES

C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H](CO)[C@@H]([C@H](CO)O)O)O)O)O

InChI

InChI=1S/C10H20O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h4-17H,1-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1

InChIKey

AGMMOFWXIZIUHT-RSZZQXBVSA-N

Chemical Structure

2D Structure

CAS: 20237-70-1

CID: 101289658

Formula: C10H20O9

MW: 284.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	284.26
XLogP3	-4.5
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	284.11073221
Monoisotopic Mass	284.11073221
Topological Polar Surface Area	160 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	263
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
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
OX61669-01	1,4-β-D-Xylotriitol
OG45631	β-D-Galactopyranosyl- (1-4) -β-D-galactopyranosyl- (1-4) -D-galactose
OX31987-01	1,4-β-D-Xylopentaose
OM31997-01	1,4-β-D-Mannopentaose
OC31993-01	1,4-β-D-Cellotriitol
OX31985-01	1,4-β-D-Xylotriose
OX05190-01	1,4-D-Xylobiose
OX31988-01	1,4-β-D-Xylohexaose
OG171558	B-D-Galactopyranosyl- (1,4) -O-b-D-glucopyranosyl- (1,4) -D-glucose
OX31986-01	1,4-β-D-Xylotetraose

Catalog	Name
297895-01	1,4-b-D-Xylobiitol
GTR19213240	Anhydrohirundigenin 3-O-β-D-glucopyranosoyl- (1→4) -α-L-diginopyranosyl- (1→4) - β-D-cymaropyranosyl- (1→4) -β-D-digitoxopyranosyl- (1→4) -β-D-thevetopyranoside
GC6430-5mg	O-β-D-Galactopyranosyl- (1-4) -O-β-D-glucopyranosyl- (1-4) -D-glucose
M39078	Caudatin-3-O-β-D-glucopyranosyl- (1-4) -8-D-oleandropyranosyl- (1-4) -β-D-cymaropyranosyl- (1-4) -β-D-cymaropyranoside
BICL2292-01	O-ß-D-Galactopyranosyl- (1-4) -O-ß-D-glucopyranosyl- (1-4) -D-glucose
sc-223761	α-D-Glc- (1 6) -α-D-Glc- (1 4) -α-D-Glc- (1 4) -β-D-Glc-1 O-OTE
M2254-37	4-O-a-D-Mannopyranosyl-d-mannopyrannose (a-D-Man-[1-4]D-man)
A2295-12K	1,4-Anhydro-D-sorbitol (1,4-Anhydro-D-glucitol)
297881-01	1,4-D-Xylobiose
sc-376111	Pericentrin 1 (D-4)