Vitamin CK3 100mg

CAT: 0628-A21028-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A21028-100Size:100 mg

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CAS Number

1085703-32-7

Chemical Information

Vitamin CK3

CAS Number	1085703-32-7
PubChem CID	134128284
Molecular Formula	C17H18Na2O11S
Molecular Weight	476.4
Topological Polar Surface Area	204
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	3
Heavy Atom Count	31
Formal Charge	0
Complexity	693

SMILES

CC1(CC(=O)C2=CC=CC=C2C1=O)S(=O)(=O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O.[Na].[Na]

InChI

InChI=1S/C11H10O5S.C6H8O6.2Na/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13;7-1-2(8)5-3(9)4(10)6(11)12-5;;/h2-5H,6H2,1H3,(H,14,15,16);2,5,7-10H,1H2;;/t;2-,5+;;/m.0../s1

InChIKey

RXNIARIYWPFYPK-NFAFUWKUSA-N

Chemical Structure

2D Structure

CAS: 1085703-32-7

CID: 134128284

Formula: C17H18Na2O11S

MW: 476.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	476.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	3
Exact Mass	476.03652112
Monoisotopic Mass	476.03652112
Topological Polar Surface Area	204 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	693
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

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Vitamin CK3 100mg

Chemical Information

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