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3'-ONH2-dTTP

CAT: 0804-HY-178535Size: 1 EachDry Ice: NoHazardous: No
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Description
3'-ONH2-dTTP is a monomeric raw material that can be used for nucleic acid synthesis.
CAS Number
1159990-37-0
UNSPSC
12352005
Target
Nucleoside Antimetabolite/Analog
Related Pathways
Cell Cycle/DNA Damage
Field of Research
Metabolic Disease
Smiles
O=P(O)(O)OP(OP(OC[C@H]1O[C@@H](N2C(NC(C(C)=C2)=O)=O)C[C@@H]1ON)(O)=O)(O)=O
Molecular Formula
C10H18N3O14P3
Molecular Weight
497.18
Shipping Conditions
Room temperature
Scientific Category
Oligonucleotides
Clinical Information
No Development Reported

Chemical Information

3'-O-Aminothymidine-5'-triphosphate
CAS Number1159990-37-0
PubChem CID86760875
IUPAC Name[[(2R,3S,5R)-3-aminooxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC10H18N3O14P3
Molecular Weight497.18
XLogP-7.1
Topological Polar Surface Area254
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity871
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)ON
InChI
InChI=1S/C10H18N3O14P3/c1-5-3-13(10(15)12-9(5)14)8-2-6(25-11)7(24-8)4-23-29(19,20)27-30(21,22)26-28(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,19,20)(H,21,22)(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey
WTXJWVBIEUJGOO-XLPZGREQSA-N
Chemical Structure
2D Structure
2D structure of 3'-O-Aminothymidine-5'-triphosphate
CAS: 1159990-37-0
CID: 86760875
Formula: C10H18N3O14P3
MW: 497.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.18
XLogP3-7.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass497.00016325
Monoisotopic Mass497.00016325
Topological Polar Surface Area254 Ų
Heavy Atom Count30
Formal Charge0
Complexity871
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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