D- (+) -Cellobiose

CAT: 0127-BUP16544-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-BUP16544-02Size:1 g

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CAS Number

528-50-7

Synonyms

Cellose, Beta-Cellobiose, D-Cellobiose, Cellobiose

Purity

=98%

Smiles

OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

Chemical Information

Cellobiose

Cellobiose is a glycosylglucose consisting of two glucose units linked via a beta(14) bond. It has a role as a plant metabolite.

CAS Number	528-50-7
PubChem CID	439178
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Molecular Formula	C12H22O11
Molecular Weight	342.30
XLogP	-4.7
Topological Polar Surface Area	190
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	382

SMILES

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

InChI

InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12+/m1/s1

InChIKey

GUBGYTABKSRVRQ-CUHNMECISA-N

Chemical Structure

2D Structure

CAS: 528-50-7

CID: 439178

Formula: C12H22O11

MW: 342.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.30
XLogP3	-4.7
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Exact Mass	342.11621151
Monoisotopic Mass	342.11621151
Topological Polar Surface Area	190 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	382
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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
OR5590T	D- (+) -Cellotriose
BIC6206	D- (+) -Cellotriose
BICL4057-01	D-Cellotriose undecaacetate
BICL2215-01	Ethyl ß-D-cellobioside
BICL2143-01	SS-D-Cellobiosyl azide
BICL2149-01	A-D-Cellobiosyl fluoride heptaacetate
BICL2355-01	Methyl ß-D-cellobioside heptaacetate
BICL2216-01	Ethyl ß-D-cellobioside heptaacetate
BICL2273-01	Fluorescein methyl ester ß-D-cellobioside
BICL2148-01	SS-D-Cellobiosyl fluoride heptaacetate