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Sp-8-pCPT-PET-cGMPS

CAT: 1106-BLG-C047-01Size: 1 μmoLDry Ice: NoHazardous: No
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CAT#:1106-BLG-C047-01Size:1 μmoL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1262749-63-2
Product Name Alternative
8- (4-Chlorophenylthio) -β-phenyl-1, N2-ethenoguanosine-3′,5′-cyclic monophosphorothioate . sodium salt, Sp-isomer
Certification
RUO
Type
Modified nucleotides
Purity
> 99% HPLC
Molecular Formula
C 24 H 18 ClN 5 O 6 PS 2 . Na
Molecular Weight
626
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-(4-chlorophenyl)sulfanyl-6-phenyl-5H-imidazo[1,2-a]purin-9-one
CAS Number1262749-63-2
PubChem CID44755061
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-(4-chlorophenyl)sulfanyl-6-phenyl-5H-imidazo[1,2-a]purin-9-one
Molecular FormulaC24H19ClN5O6PS2
Molecular Weight604.0
XLogP3.4
Topological Polar Surface Area188
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count39
Formal Charge0
Complexity1100
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=C3SC7=CC=C(C=C7)Cl)O)OP(=S)(O1)O
InChI
InChI=1S/C24H19ClN5O6PS2/c25-13-6-8-14(9-7-13)39-24-27-17-20(30(24)22-18(31)19-16(35-22)11-34-37(33,38)36-19)28-23-26-15(10-29(23)21(17)32)12-4-2-1-3-5-12/h1-10,16,18-19,22,31H,11H2,(H,26,28)(H,33,38)/t16-,18-,19-,22-,37?/m1/s1
InChIKey
AYHAIQBDFVJMQL-ZSXHPBQESA-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-(4-chlorophenyl)sulfanyl-6-phenyl-5H-imidazo[1,2-a]purin-9-one
CAS: 1262749-63-2
CID: 44755061
Formula: C24H19ClN5O6PS2
MW: 604.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight604.0
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass603.0202904
Monoisotopic Mass603.0202904
Topological Polar Surface Area188 Ų
Heavy Atom Count39
Formal Charge0
Complexity1100
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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Alternative Products

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GTR19236968-01Sp-8-pCPT-PET-cGMPS
HY-137108Sp-8-pCPT-cGMPS
HY-137633Sp-8-Br-PET-cGMPS
BLA69661Rp-8-pCPT-cGMPS
HY-110221Rp-8-pCPT-cGMPS (sodium)
T23252-01Rp-8-Br-PET-cGMPS
MBS256230-018- (4- Chlorophenylthio)- beta- phenyl- 1, N- ethenoguanosine- 3', 5'- cyclic monophosphorothioate, Sp- isomer (Sp-8-pCPT-PET-cGMPS)
C 047-058- (4- Chlorophenylthio) - β- phenyl- 1, N²- ethenoguanosine- 3', 5'- cyclic monophosphorothioate, Sp- isomer (Sp-8-pCPT-PET-cGMPS), sodium salt
MBS256534-018- (4- Chlorophenylthio)guanosine- 3', 5'- cyclic monophosphorothioate, Sp- isomer (Sp-8-pCPT-cGMPS)
sc-253602Sp-8-pCPT-cAMPS

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