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5'-OH- (2'OMe-G) pG

CAT: 0804-HY-178592Size: 1 EachDry Ice: NoHazardous: No
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Description
5'-OH- (2'OMe-G) pG is a monomeric raw material that can be used for nucleic acid synthesis.
CAS Number
2236-98-8
UNSPSC
12352005
Target
Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Metabolic Disease
Smiles
OC[C@H]1O[C@@H](N(C=N2)C3=C2C(N=C(N)N3)=O)[C@H](OC)[C@@H]1OP(O)(OC[C@H]4[C@H](O)[C@H](O)[C@@H](N5C6=C(C(N=C(N)N6)=O)N=C5)O4)=O
Molecular Formula
C21H27N10O12P
Molecular Weight
642.47
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

Gua-Ribf2Me-P-rGuo
CAS Number2236-98-8
PubChem CID178421315
IUPAC Name[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl] hydrogen phosphate
Molecular FormulaC21H27N10O12P
Molecular Weight642.5
XLogP-6.1
Topological Polar Surface Area315
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Heavy Atom Count44
Formal Charge0
Complexity1260
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=C(NC6=O)N)O)O
InChI
InChI=1S/C21H27N10O12P/c1-39-13-12(6(2-32)41-19(13)31-5-25-9-15(31)27-21(23)29-17(9)36)43-44(37,38)40-3-7-10(33)11(34)18(42-7)30-4-24-8-14(30)26-20(22)28-16(8)35/h4-7,10-13,18-19,32-34H,2-3H2,1H3,(H,37,38)(H3,22,26,28,35)(H3,23,27,29,36)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
InChIKey
UQTAZHLWPJRHIM-INFSMZHSSA-N
Chemical Structure
2D Structure
2D structure of Gua-Ribf2Me-P-rGuo
CAS: 2236-98-8
CID: 178421315
Formula: C21H27N10O12P
MW: 642.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight642.5
XLogP3-6.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Exact Mass642.15475333
Monoisotopic Mass642.15475333
Topological Polar Surface Area315 Ų
Heavy Atom Count44
Formal Charge0
Complexity1260
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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