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D-Dimannuronic acid

CAT: 0804-HY-N7699Size: 1 EachDry Ice: NoHazardous: No
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Description
D-Dimannuronic acid is an alginate extract from brown algae which can be used to synthesize sulfated polymannuronate (SPMG) -derived oligosaccharides[1].
CAS Number
34044-53-6
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/d-dimannuronic-acid.html
Solubility
10 mM in DMSO
Smiles
O[C@H]1[C@H]([C@H]([C@@H]([C@@H](C(O)=O)O1)O[C@H]2[C@H]([C@H]([C@@H]([C@@H](C(O)=O)O2)O)O)O)O)O
Molecular Formula
C12H18O13
Molecular Weight
370.26
References & Citations
[1]Liu H, et, al. Multiple and multivalent interactions of novel anti-AIDS drug candidates, sulfated polymannuronate (SPMG) -derived oligosaccharides, with gp120 and their anti-HIV activities. Glycobiology. 2005 May; 15 (5) :501-10.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

GlyTouCan:G06440CO
CAS Number34044-53-6
PubChem CID91847812
IUPAC Name(2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC12H18O13
Molecular Weight370.26
XLogP-4.2
Topological Polar Surface Area224
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity511
SMILES
[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@@H]2C(=O)O)O)O)O)C(=O)O)O)O
InChI
InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2-,3+,4-,5-,6-,7-,8-,11+,12+/m0/s1
InChIKey
IGSYEZFZPOZFNC-DMAJVUHCSA-N
Chemical Structure
2D Structure
2D structure of GlyTouCan:G06440CO
CAS: 34044-53-6
CID: 91847812
Formula: C12H18O13
MW: 370.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight370.26
XLogP3-4.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count4
Exact Mass370.07474062
Monoisotopic Mass370.07474062
Topological Polar Surface Area224 Ų
Heavy Atom Count25
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes