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NSC16168

CAT: 0013-GTR19203791-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203791-02Size:5 mg
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Description
NSC16168
CAS Number
6837-93-0
Product Name Alternative
ERCC1-XPF, EstrogenReceptor, Estrogen Receptor, NSC 16168, NSC16168, NSC-16168, progestogen Receptor, progestogenReceptor
Field of Research
Cell Biology, Molecular Biology
Purity
99.88% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.22 mM) ; DMSO:20 mg/mL (42.24 mM)
Smiles
O=S (=O) (O) C=1C=C (OS (=O) (=O) C2=CC=C (C=C2) C) C3=C (N) C=C (C=C3C1) S (=O) (=O) O
Molecular Formula
C17H15NO9S3
Molecular Weight
473.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid
CAS Number6837-93-0
PubChem CID23270
IUPAC Name4-amino-5-(4-methylphenyl)sulfonyloxynaphthalene-2,7-disulfonic acid
Molecular FormulaC17H15NO9S3
Molecular Weight473.5
XLogP1.4
Topological Polar Surface Area203
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity922
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C17H15NO9S3/c1-10-2-4-12(5-3-10)30(25,26)27-16-9-14(29(22,23)24)7-11-6-13(28(19,20)21)8-15(18)17(11)16/h2-9H,18H2,1H3,(H,19,20,21)(H,22,23,24)
InChIKey
ZIQWUYNDHGXLIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Amino-5-(((4-methylphenyl)sulfonyl)oxy)-2,7-naphthalenedisulfonic acid
CAS: 6837-93-0
CID: 23270
Formula: C17H15NO9S3
MW: 473.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight473.5
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass472.99089458
Monoisotopic Mass472.99089458
Topological Polar Surface Area203 Ų
Heavy Atom Count30
Formal Charge0
Complexity922
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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