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Rp-5,6-DCl-cBIMPS

CAT: 1106-BLG-D013-05Size: 5 μmoLDry Ice: NoHazardous: No
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CAT#:1106-BLG-D013-05Size:5 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120912-55-2
Product Name Alternative
5,6-Dichloro-1-β-D-ribofuranosyl benzimidazole-3′,5′-cyclic monophosphorothioate . sodium salt, Rp-isomer
Certification
RUO
Type
Modified nucleotides
Purity
> 99% HPLC
Molecular Formula
C 12 H 10 Cl 2 N 2 O 5 PS . Na
Molecular Weight
419.2
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .

Chemical Information

Sp-5,6-dichloro-cBIMPS (sodium salt)
CAS Number120912-55-2
PubChem CID23675379
IUPAC Namesodium (4aR,6R,7R,7aS)-6-(5,6-dichlorobenzimidazol-1-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular FormulaC12H10Cl2N2NaO5PS
Molecular Weight419.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity540
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=CC(=C(C=C43)Cl)Cl)O)OP(=S)(O1)[O-].[Na+]
InChI
InChI=1S/C12H11Cl2N2O5PS.Na/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-10(17)11-9(20-12)3-19-22(18,23)21-11;/h1-2,4,9-12,17H,3H2,(H,18,23);/q;+1/p-1/t9-,10-,11-,12-,22?;/m1./s1
InChIKey
LXTHVPHQPNCKKG-MOBMELGVSA-M
Chemical Structure
2D Structure
2D structure of Sp-5,6-dichloro-cBIMPS (sodium salt)
CAS: 120912-55-2
CID: 23675379
Formula: C12H10Cl2N2NaO5PS
MW: 419.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight419.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass417.9322793
Monoisotopic Mass417.9322793
Topological Polar Surface Area121 Ų
Heavy Atom Count24
Formal Charge0
Complexity540
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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