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5-PA-dUTP

CAT: 0607-BA4040-.5Size: 500 µLDry Ice: NoHazardous: No
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CAT#:0607-BA4040-.5Size:500 µL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
179101-49-6
Form
A liquid
Molecular Formula
C12H18N3O14P3
Molecular Weight
521.20
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

ap-dUTP
CAS Number179101-49-6
PubChem CID18664765
IUPAC Name[[(2R,3S,5R)-5-[5-(3-aminoprop-1-ynyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC12H18N3O14P3
Molecular Weight521.20
XLogP-8.4
Topological Polar Surface Area265
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity1010
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C12H18N3O14P3/c13-3-1-2-7-5-15(12(18)14-11(7)17)10-4-8(16)9(27-10)6-26-31(22,23)29-32(24,25)28-30(19,20)21/h5,8-10,16H,3-4,6,13H2,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t8-,9+,10+/m0/s1
InChIKey
BGGIMXKBIBMKBL-IVZWLZJFSA-N
Chemical Structure
2D Structure
2D structure of ap-dUTP
CAS: 179101-49-6
CID: 18664765
Formula: C12H18N3O14P3
MW: 521.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight521.20
XLogP3-8.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass521.00016325
Monoisotopic Mass521.00016325
Topological Polar Surface Area265 Ų
Heavy Atom Count32
Formal Charge0
Complexity1010
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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