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D-Panose

CAT: 0926-OP06685-04Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-OP06685-04Size:250 mg
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CAS Number
33401-87-5
Synonyms
4-O-[6-O- (a-D-Glucopyranosyl) -a-D-glucopyranosyl]-D-glucopyranose; Glc-a-1,6-Glc-a-1,4-Glc
MDL Number
MFCD00151376
Smiles
O ([C@@H] ([C@@H] ([C@H] (C=O) O) O) [C@@H] (CO) O) [C@H]1O[C@H] (CO[C@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O) [C@@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C18H32O16
Molecular Weight
504.44 g/mol
Controlled
No

Chemical Information

Panose

Panose is a trisaccharide composed of D-glucopyranose units. It has a role as a plant metabolite.

CAS Number33401-87-5
PubChem CID94448
IUPAC Name(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
Molecular FormulaC18H32O16
Molecular Weight504.4
XLogP-7.2
Topological Polar Surface Area277
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity625
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-5(22)9(24)16(6(23)2-20)34-18-15(30)13(28)11(26)8(33-18)4-31-17-14(29)12(27)10(25)7(3-21)32-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12-,13-,14+,15+,16+,17-,18+/m0/s1
InChIKey
ZCLAHGAZPPEVDX-MQHGYYCBSA-N
Chemical Structure
2D Structure
2D structure of Panose
CAS: 33401-87-5
CID: 94448
Formula: C18H32O16
MW: 504.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.4
XLogP3-7.2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass504.16903493
Monoisotopic Mass504.16903493
Topological Polar Surface Area277 Ų
Heavy Atom Count34
Formal Charge0
Complexity625
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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