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Chitosan (MW 150000)

CAT: 0127-BUP20609Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-BUP20609Size:1 g
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CAS Number
14504-73-5
Synonyms
Poly (D-glucosamine), Deacetylated chitin , Chitosan
Smiles
O(CC)C1=C2C(OC(=O)C2=C(N)C(OCC)=C1OCC)C3C=4C(OC)=C5C(=CC4CCN3C)OCO5

Chemical Information

Tritoqualine

Tritoqualine is a member of isoquinolines.

CAS Number14504-73-5
PubChem CID72145
IUPAC Name7-amino-4,5,6-triethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one
Molecular FormulaC26H32N2O8
Molecular Weight500.5
XLogP3.7
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity772
SMILES
CCOC1=C(C(=C(C2=C1C(OC2=O)C3C4=C(C5=C(C=C4CCN3C)OCO5)OC)N)OCC)OCC
InChI
InChI=1S/C26H32N2O8/c1-6-31-23-17-16(18(27)24(32-7-2)25(23)33-8-3)26(29)36-21(17)19-15-13(9-10-28(19)4)11-14-20(22(15)30-5)35-12-34-14/h11,19,21H,6-10,12,27H2,1-5H3
InChIKey
IRGJVQIJENCTQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tritoqualine
CAS: 14504-73-5
CID: 72145
Formula: C26H32N2O8
MW: 500.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass500.21586598
Monoisotopic Mass500.21586598
Topological Polar Surface Area111 Ų
Heavy Atom Count36
Formal Charge0
Complexity772
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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