STC314

CAT: 0127-BUP02217-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02217-02Size:5 mg

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CAS Number

186295-19-2

Purity

=98%

Smiles

O=S(O[C@H]([C@H]([C@@H](O[C@@H]1COS(=O)([O-])=O)OC)OS(=O)([O-])=O)[C@@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)([O-])=O)OS(=O)([O-])=O)OS(=O)([O-])=O)OS(=O)([O-])=O)([O-])=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Chemical Information

CID 168439300

CAS Number	186295-19-2
PubChem CID	168439300
IUPAC Name	heptasodium;[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-disulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate
Molecular Formula	C13H17Na7O32S7
Molecular Weight	1070.7
Topological Polar Surface Area	561
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	32
Rotatable Bond Count	12
Heavy Atom Count	59
Formal Charge	0
Complexity	1890

SMILES

CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)[O-])OS(=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+]

InChI

InChI=1S/C13H24O32S7.7Na/c1-35-12-10(44-51(29,30)31)8(42-49(23,24)25)6(4(38-12)2-36-46(14,15)16)40-13-11(45-52(32,33)34)9(43-50(26,27)28)7(41-48(20,21)22)5(39-13)3-37-47(17,18)19;;;;;;;/h4-13H,2-3H2,1H3,(H,14,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34);;;;;;;/q;7*+1/p-7/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13+;;;;;;;/m1......./s1

InChIKey

LDYMHHKWXRUKFZ-BLCUBZQJSA-G

Chemical Structure

2D Structure

CAS: 186295-19-2

CID: 168439300

Formula: C13H17Na7O32S7

MW: 1070.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1070.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	32
Rotatable Bond Count	12
Exact Mass	1069.7031765
Monoisotopic Mass	1069.7031765
Topological Polar Surface Area	561 Å²
Heavy Atom Count	59
Formal Charge	0
Complexity	1890
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	8
Compound Is Canonicalized	Yes

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Catalog	Name
MBS5816443	STC314

STC314

Chemical Information

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