Isomaltohexaonic Acid

CAT: 1299-RM-I162000-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I162000-01Size:10 mg

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CAS Number

534-74-7

Synonyms

(2R,3S,4R,5R) -2,3,4,5-tetrahydroxy-6- (((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) hexanoic acid

Molecular Formula

C12H22O12

Molecular Weight

358.3

Target Alternative Name

Isomaltohexaonic Acid

Product Name Synonym

(2R,3S,4R,5R) -2,3,4,5-tetrahydroxy-6- (((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) hexanoic acid

Chemical Information

Isomaltobionic acid

studied as synthetic antigen in rabbits when coupled to bovine serum albumin

CAS Number	534-74-7
PubChem CID	6452832
IUPAC Name	(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
Molecular Formula	C12H22O12
Molecular Weight	358.30
XLogP	-5
Topological Polar Surface Area	218
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Heavy Atom Count	24
Formal Charge	0
Complexity	405

SMILES

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

InChI

InChI=1S/C12H22O12/c13-1-4-6(16)8(18)10(20)12(24-4)23-2-3(14)5(15)7(17)9(19)11(21)22/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,12+/m1/s1

InChIKey

MUUBPEHTAPZMCA-NFXSTIHLSA-N

Chemical Structure

2D Structure

CAS: 534-74-7

CID: 6452832

Formula: C12H22O12

MW: 358.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	358.30
XLogP3	-5
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	358.11112613
Monoisotopic Mass	358.11112613
Topological Polar Surface Area	218 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	405
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

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