Maltotrionic Acid

CAT: 1596-AR-L06437-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L06437-06Size:250 Units

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CAS Number

70834-09-2

Synonyms

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

Molecular Formula

C18H32O17

Molecular Weight

520.44

API Name

Lactose

Chemical Information

GlyTouCan:G85145OW

CAS Number	70834-09-2
PubChem CID	137333928
IUPAC Name	(2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanoic acid
Molecular Formula	C18H32O17
Molecular Weight	520.4
XLogP	-7.1
Topological Polar Surface Area	297
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	11
Heavy Atom Count	35
Formal Charge	0
Complexity	667

SMILES

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

InChI

InChI=1S/C18H32O17/c19-1-4(22)14(9(25)11(27)16(30)31)34-18-13(29)10(26)15(6(3-21)33-18)35-17-12(28)8(24)7(23)5(2-20)32-17/h4-15,17-29H,1-3H2,(H,30,31)/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17-,18-/m1/s1

InChIKey

YFLYSNSGNLXMJW-IVJVVCOPSA-N

Chemical Structure

2D Structure

CAS: 70834-09-2

CID: 137333928

Formula: C18H32O17

MW: 520.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	520.4
XLogP3	-7.1
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	11
Exact Mass	520.16394955
Monoisotopic Mass	520.16394955
Topological Polar Surface Area	297 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	667
Isotope Atom Count	0
Defined Atom Stereocenter Count	14
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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Maltotrionic Acid

Chemical Information

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