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Laminarin

CAT: 0127-OR1029774-03Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1029774-03Size:25 g
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CAS Number
9008-22-4
Synonyms
(3R,4S,5R,6R) -4-[ (3R,4S,5R,6R) -3,5-dihydroxy-6- (hydroxymethyl) -4-[ (3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) oxan-2-yl]oxyoxan-2-yl]oxy-6- (hydroxymethyl) oxane-2,3,5-triol
Purity
98%
Smiles
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

Chemical Information

Laminaran

laminarin has been reported in Chorda filum, Pleurotus ostreatus, and other organisms with data available.

CAS Number9008-22-4
PubChem CID439306
IUPAC Name(3R,4S,5R,6R)-4-[(3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
Molecular FormulaC18H32O16
Molecular Weight504.4
XLogP-5.8
Topological Polar Surface Area269
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity641
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16?,17?,18?/m1/s1
InChIKey
DBTMGCOVALSLOR-VPNXCSTESA-N
Chemical Structure
2D Structure
2D structure of Laminaran
CAS: 9008-22-4
CID: 439306
Formula: C18H32O16
MW: 504.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.4
XLogP3-5.8
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass504.16903493
Monoisotopic Mass504.16903493
Topological Polar Surface Area269 Ų
Heavy Atom Count34
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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