Products for Research Use Only
RegisterLogin

Sucroseoctasulfatesodiumsalt

CAT: 0127-OR1027824-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1027824-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
74135-10-7
Synonyms
Octasodium; [ (2R,3R,4S,5R,6R) -2-[ (2S,3S,4R,5R) -3,4-disulfonatooxy-2,5-bis (sulfonatooxymethyl) oxolan-2-yl]oxy-3,5-disulfonatooxy-6- (sulfonatooxymethyl) oxan-4-yl] sulfate
Purity
98%
Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Chemical Information

Sucrosofate sodium
CAS Number74135-10-7
PubChem CID9833472
IUPAC Nameoctasodium;[(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-3,4-disulfonatooxy-2,5-bis(sulfonatooxymethyl)oxolan-2-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate
Molecular FormulaC12H14Na8O35S8
Molecular Weight1158.7
Topological Polar Surface Area626
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count35
Rotatable Bond Count13
Heavy Atom Count63
Formal Charge0
Complexity2130
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C12H22O35S8.8Na/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18;;;;;;;;/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;;;;;;/q;8*+1/p-8/t4-,5-,6-,7-,8+,9-,10+,11-,12+;;;;;;;;/m1......../s1
InChIKey
CPRSOZZDECJZKH-QRDGSJRXSA-F
Chemical Structure
2D Structure
2D structure of Sucrosofate sodium
CAS: 74135-10-7
CID: 9833472
Formula: C12H14Na8O35S8
MW: 1158.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1158.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count35
Rotatable Bond Count13
Exact Mass1157.6262858
Monoisotopic Mass1157.6262858
Topological Polar Surface Area626 Ų
Heavy Atom Count63
Formal Charge0
Complexity2130
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count9
Compound Is CanonicalizedYes

Popular Products