Epilactose

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CAT#:0926-ACA46856-02Size:0.05 g

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CAS Number

50468-56-9

Synonyms

4-O-β-D-Galactopyranosyl-D-mannose

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

Molecular Formula

C12H22O11

Molecular Weight

342.3 g/mol

Controlled

Chemical Information

Epilactose

See also: Eplattosio (annotation moved to).

CAS Number	50468-56-9
PubChem CID	128037
IUPAC Name	(2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
Molecular Formula	C12H22O11
Molecular Weight	342.30
XLogP	-5
Topological Polar Surface Area	197
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Heavy Atom Count	23
Formal Charge	0
Complexity	367

SMILES

C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O)O)O)O)O

InChI

InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h1,4-12,14-21H,2-3H2/t4-,5-,6-,7-,8+,9+,10-,11-,12+/m1/s1

InChIKey

DKXNBNKWCZZMJT-QMRWEYQWSA-N

Chemical Structure

2D Structure

CAS: 50468-56-9

CID: 128037

Formula: C12H22O11

MW: 342.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.30
XLogP3	-5
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	342.11621151
Monoisotopic Mass	342.11621151
Topological Polar Surface Area	197 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	367
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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
TN8954-01	Epilactose
MBS6013936-01	4-O-beta-Galactopyranosyl-D-mannopyranoside (Epilactose)
G1021-21-01	4-O-ß-Galactopyranosyl-D-mannopyranoside (Epilactose, Lactulose impurity A)
RM-L010303-01	Lactulose EP Impurity A; 4-O-β-D-Galactopyranosyl-D-Mannopyranose (Epilactose)
448299-01	Epilactose (4-O-beta-Galactopyranosyl-D-mannopyranose) discontinued. See G1021-21