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Guanosine Impurity 5

CAT: 1596-AR-G02831-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-G02831-01Size:10 Units
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CAS Number
1414808-96-0
Molecular Formula
C21H23N7O6
Molecular Weight
469.46
API Name
Guanine

Chemical Information

Tryptamine guanosine carbamate

5'-O-{[2-(1H-Indol-3-yl)ethyl]carbamoyl}guanosine is a purine nucleoside.

CAS Number1414808-96-0
PubChem CID136042250
IUPAC Name[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-[2-(1H-indol-3-yl)ethyl]carbamate
Molecular FormulaC21H23N7O6
Molecular Weight469.5
XLogP0
Topological Polar Surface Area189
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity814
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=C(NC5=O)N)O)O
InChI
InChI=1S/C21H23N7O6/c22-20-26-17-14(18(31)27-20)25-9-28(17)19-16(30)15(29)13(34-19)8-33-21(32)23-6-5-10-7-24-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,24,29-30H,5-6,8H2,(H,23,32)(H3,22,26,27,31)/t13-,15-,16-,19-/m1/s1
InChIKey
WKHCFGWBMMFLHU-NVQRDWNXSA-N
Chemical Structure
2D Structure
2D structure of Tryptamine guanosine carbamate
CAS: 1414808-96-0
CID: 136042250
Formula: C21H23N7O6
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP30
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass469.17098148
Monoisotopic Mass469.17098148
Topological Polar Surface Area189 Ų
Heavy Atom Count34
Formal Charge0
Complexity814
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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