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Sp-8-Br-PET-cGMPS

CAT: 1106-BLG-P008-25Size: 5x 5 μmoLDry Ice: NoHazardous: No
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CAT#:1106-BLG-P008-25Size:5x 5 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
172806-21-2
Product Name Alternative
β-Phenyl-1, N2-etheno-8-bromoguanosine-3′,5′-cyclic monophosphorothioate . sodium salt, Sp-isomer
Certification
RUO
Type
Activator, Modified nucleotides
Purity
> 99% HPLC
Molecular Formula
C 18 H 14 BrN 5 O 6 PS . Na
Molecular Weight
562.3
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .

Chemical Information

3-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one
CAS Number172806-21-2
PubChem CID6913617
IUPAC Name3-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one
Molecular FormulaC18H15BrN5O6PS
Molecular Weight540.3
XLogP1.4
Topological Polar Surface Area163
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity934
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)N5C=C(NC5=N4)C6=CC=CC=C6)N=C3Br)O)OP(=S)(O1)O
InChI
InChI=1S/C18H15BrN5O6PS/c19-17-21-11-14(24(17)16-12(25)13-10(29-16)7-28-31(27,32)30-13)22-18-20-9(6-23(18)15(11)26)8-4-2-1-3-5-8/h1-6,10,12-13,16,25H,7H2,(H,20,22)(H,27,32)/t10-,12-,13-,16-,31?/m1/s1
InChIKey
DBYADRPTMRXVDJ-QJYCJHSLSA-N
Chemical Structure
2D Structure
2D structure of 3-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-5H-imidazo[1,2-a]purin-9-one
CAS: 172806-21-2
CID: 6913617
Formula: C18H15BrN5O6PS
MW: 540.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.3
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass538.96640
Monoisotopic Mass538.96640
Topological Polar Surface Area163 Ų
Heavy Atom Count32
Formal Charge0
Complexity934
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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