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Galectin-3-IN-1

CAT: 0607-BA5981-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5981-1Size:1 mg
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CAS Number
1989627-40-8
Form
A solid
Molecular Formula
C18H26O10S
Molecular Weight
434.46
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C, protect from light.

Chemical Information

Galectin-3-IN-1
CAS Number1989627-40-8
PubChem CID89709391
IUPAC Name(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-prop-2-ynoxyoxan-2-yl]sulfanyl-6-(hydroxymethyl)-4-prop-2-ynoxyoxane-3,5-diol
Molecular FormulaC18H26O10S
Molecular Weight434.5
XLogP-2.1
Topological Polar Surface Area184
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity562
SMILES
C#CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCC#C)O)CO)O
InChI
InChI=1S/C18H26O10S/c1-3-5-25-15-11(21)9(7-19)27-17(13(15)23)29-18-14(24)16(26-6-4-2)12(22)10(8-20)28-18/h1-2,9-24H,5-8H2/t9-,10-,11+,12+,13-,14-,15+,16+,17+,18+/m1/s1
InChIKey
XBXOXPJSVPXLNY-USCYINILSA-N
Chemical Structure
2D Structure
2D structure of Galectin-3-IN-1
CAS: 1989627-40-8
CID: 89709391
Formula: C18H26O10S
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP3-2.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass434.12466820
Monoisotopic Mass434.12466820
Topological Polar Surface Area184 Ų
Heavy Atom Count29
Formal Charge0
Complexity562
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

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