Didansylcadaverine

CAT: 0024-sc-214882Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-214882Size:25 mg

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CAS Number

55521-24-9

Chemical Information

Didansylcadaverine

CAS Number	55521-24-9
PubChem CID	108731
IUPAC Name	5-(dimethylamino)-N-[5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]pentyl]naphthalene-1-sulfonamide
Molecular Formula	C29H36N4O4S2
Molecular Weight	568.8
XLogP	5.4
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Heavy Atom Count	39
Formal Charge	0
Complexity	898

SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCCCNS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

InChI

InChI=1S/C29H36N4O4S2/c1-32(2)26-16-8-14-24-22(26)12-10-18-28(24)38(34,35)30-20-6-5-7-21-31-39(36,37)29-19-11-13-23-25(29)15-9-17-27(23)33(3)4/h8-19,30-31H,5-7,20-21H2,1-4H3

InChIKey

USJKPOZTSFSPTN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55521-24-9

CID: 108731

Formula: C29H36N4O4S2

MW: 568.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	568.8
XLogP3	5.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	568.21779799
Monoisotopic Mass	568.21779799
Topological Polar Surface Area	116 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	898
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Didansylcadaverine

Chemical Information

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