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Guanosine Impurity 3

CAT: 1596-AR-G02828-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G02828-01Size:10 Units
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CAS Number
117723-13-4
Molecular Formula
C11H17N5O11P2
Molecular Weight
457.23
API Name
Guanine

Chemical Information

7-Methylguanosine 5'-(trihydrogen diphosphate)

7-methylguanosine 5'-diphosphate(1+) is a guanosine 5'-phosphate that consists of guanosine 5'-diphosphate bearing a 7-methyl substituent. It is functionally related to a GDP. It is a conjugate acid of a 7-methylguanosine 5'-diphosphate.

CAS Number117723-13-4
PubChem CID135460973
IUPAC Name[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular FormulaC11H18N5O11P2+
Molecular Weight458.24
XLogP-4.5
Topological Polar Surface Area239
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge1
Complexity791
SMILES
CN1C=[N+](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O
InChI
InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1
InChIKey
SBASPRRECYVBRF-KQYNXXCUSA-O
Chemical Structure
2D Structure
2D structure of 7-Methylguanosine 5'-(trihydrogen diphosphate)
CAS: 117723-13-4
CID: 135460973
Formula: C11H18N5O11P2+
MW: 458.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.24
XLogP3-4.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass458.04780540
Monoisotopic Mass458.04780540
Topological Polar Surface Area239 Ų
Heavy Atom Count29
Formal Charge1
Complexity791
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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