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2'-O-MOE-GTP

CAT: 0931-TSW-00970-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TSW-00970-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
847647-85-2
Target
Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
2'-O-MOE-GTP is a nucleotide analog utilized in the synthesis of oligonucleotides.
Smiles
O(CCOC)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(N)N3)O[C@H](COP(OP(OP(=O)(O)O)(=O)O)(=O)O)[C@H]1O
Molecular Formula
C13H22N5O15P3
Molecular Weight
581.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(((2R,3R,4R,5R)-5-(2-Amino-6-oxo-1H-purin-9(6H)-yl)-3-hydroxy-4-(2-methoxyethoxy)tetrahydrofuran-2-yl)methyl)triphosphoric acid
CAS Number847647-85-2
PubChem CID137203403
IUPAC Name[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC13H22N5O15P3
Molecular Weight581.26
XLogP-5.3
Topological Polar Surface Area293
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count12
Heavy Atom Count36
Formal Charge0
Complexity994
SMILES
COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C13H22N5O15P3/c1-28-2-3-29-9-8(19)6(4-30-35(24,25)33-36(26,27)32-34(21,22)23)31-12(9)18-5-15-7-10(18)16-13(14)17-11(7)20/h5-6,8-9,12,19H,2-4H2,1H3,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t6-,8-,9-,12-/m1/s1
InChIKey
IUIXUPPGCSCZFN-WOUKDFQISA-N
Chemical Structure
2D Structure
2D structure of (((2R,3R,4R,5R)-5-(2-Amino-6-oxo-1H-purin-9(6H)-yl)-3-hydroxy-4-(2-methoxyethoxy)tetrahydrofuran-2-yl)methyl)triphosphoric acid
CAS: 847647-85-2
CID: 137203403
Formula: C13H22N5O15P3
MW: 581.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.26
XLogP3-5.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count12
Exact Mass581.03252600
Monoisotopic Mass581.03252600
Topological Polar Surface Area293 Ų
Heavy Atom Count36
Formal Charge0
Complexity994
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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