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AMOR

CAT: 0013-GTR19195573-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195573-02Size:50 mg
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Description
AMOR
CAS Number
13006-41-2
Smiles
C (O) (=O) [C@@H]1[C@@H] (OC) [C@H] (O) [C@@H] (O) [C@H] (OC[C@H] ([C@@H] ([C@@H] ([C@H] (C=O) O) O) O) O) O1
Molecular Formula
C13H22O12
Molecular Weight
370.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GlyTouCan:G15845LL
CAS Number13006-41-2
PubChem CID154701553
IUPAC Name4,5-dihydroxy-3-methoxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxane-2-carboxylic acid
Molecular FormulaC13H22O12
Molecular Weight370.31
XLogP-4.5
Topological Polar Surface Area196
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity460
SMILES
COC1C(C(C(OC1C(=O)O)OCC2C(C(C(C(O2)O)O)O)O)O)O
InChI
InChI=1S/C13H22O12/c1-22-9-6(16)8(18)13(25-10(9)11(19)20)23-2-3-4(14)5(15)7(17)12(21)24-3/h3-10,12-18,21H,2H2,1H3,(H,19,20)
InChIKey
LKPZQKREAUELRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GlyTouCan:G15845LL
CAS: 13006-41-2
CID: 154701553
Formula: C13H22O12
MW: 370.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight370.31
XLogP3-4.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass370.11112613
Monoisotopic Mass370.11112613
Topological Polar Surface Area196 Ų
Heavy Atom Count25
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5779660AMOR