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PGpG

CAT: 1106-JBS-NU-534-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1106-JBS-NU-534-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33008-99-0
Product Name Alternative
P1- (5′-Guanosyl) -P2- (5′-guanosyl) - (3′–>5′) -diphosphate, Sodium salt
Certification
RUO
Type
Modified nucleotides
Purity
≥ 95 % (HPLC)
Molecular Formula
C 20 H 26 N 10 O 15 P 2 (free acid)
Molecular Weight
708.43 (free acid)
Shipping Conditions
Blue Ice
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .
Appearance
White to off-white solid

Chemical Information

5'-O-phosphonoguanylyl-(3'->5')-guanosine

PGpG is a 5'-phospho-(3'->5')-dinucleotide. It is a conjugate acid of a pGpG(3-).

CAS Number33008-99-0
PubChem CID135566597
IUPAC Name[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Molecular FormulaC20H26N10O15P2
Molecular Weight708.4
XLogP-7.8
Topological Polar Surface Area372
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count10
Heavy Atom Count47
Formal Charge0
Complexity1420
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=NC6=C5N=C(NC6=O)N)COP(=O)(O)O)O)O)N=C(NC2=O)N
InChI
InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(34)27-19)23-3-29(13)17-10(32)9(31)5(43-17)1-42-47(39,40)45-12-6(2-41-46(36,37)38)44-18(11(12)33)30-4-24-8-14(30)26-20(22)28-16(8)35/h3-6,9-12,17-18,31-33H,1-2H2,(H,39,40)(H2,36,37,38)(H3,21,25,27,34)(H3,22,26,28,35)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
InChIKey
ZEHOHLFQOXAZHX-MHARETSRSA-N
Chemical Structure
2D Structure
2D structure of 5'-O-phosphonoguanylyl-(3'->5')-guanosine
CAS: 33008-99-0
CID: 135566597
Formula: C20H26N10O15P2
MW: 708.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight708.4
XLogP3-7.8
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count10
Exact Mass708.10543416
Monoisotopic Mass708.10543416
Topological Polar Surface Area372 Ų
Heavy Atom Count47
Formal Charge0
Complexity1420
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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