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Pyrene phosphoramidite dU

CAT: 0931-T79006-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T79006-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
199920-17-7
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
Others, DNA Damage/DNA Repair, Cell Cycle/Checkpoint
Bioactivity
Pyrene Phosphoramidite Du, a click chemistry reagent featuring pyrene moieties, can be incorporated into DNA, resulting in pronounced blue fluorescence.
Smiles
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)C[C@@H](O1)N2C=C(C#CC3=C4C5=C6C(C=C4)=CC=CC6=CC=C5C=C3)C(=O)NC2=O)(C7=CC=C(OC)C=C7)(C8=CC=C(OC)C=C8)C9=CC=CC=C9
Molecular Formula
C57H55N4O8P
Molecular Weight
955.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pyrene phosphoramidite dU
CAS Number199920-17-7
PubChem CID154731260
IUPAC Name3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2,4-dioxo-5-(2-pyren-1-ylethynyl)pyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
Molecular FormulaC57H55N4O8P
Molecular Weight955.0
XLogP10.4
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Heavy Atom Count70
Formal Charge0
Complexity1890
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=C(C(=O)NC5=O)C#CC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6
InChI
InChI=1S/C57H55N4O8P/c1-37(2)61(38(3)4)70(67-33-11-32-58)69-50-34-52(60-35-43(55(62)59-56(60)63)21-17-39-16-18-42-20-19-40-12-10-13-41-22-31-49(39)54(42)53(40)41)68-51(50)36-66-57(44-14-8-7-9-15-44,45-23-27-47(64-5)28-24-45)46-25-29-48(65-6)30-26-46/h7-10,12-16,18-20,22-31,35,37-38,50-52H,11,33-34,36H2,1-6H3,(H,59,62,63)/t50-,51+,52+,70?/m0/s1
InChIKey
UPMNDVODTLNHCL-UTNLAKSGSA-N
Chemical Structure
2D Structure
2D structure of Pyrene phosphoramidite dU
CAS: 199920-17-7
CID: 154731260
Formula: C57H55N4O8P
MW: 955.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight955.0
XLogP310.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Exact Mass954.37575172
Monoisotopic Mass954.37575172
Topological Polar Surface Area132 Ų
Heavy Atom Count70
Formal Charge0
Complexity1890
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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