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5-Propargylamino-dCTP - Solid

CAT: 0220-NU-809-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0220-NU-809-5Size:5 mg
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CAS Number
115899-39-3
UNSPSC
12352208
UNSPSC Description
Nucleic acids
HS Code
29349990
eClass Number
34160990
eClass Product Group
Nucleinsäure (nicht klassifiziert)
Purity
≥ 93 % (HPLC)
Form
Solid
Color
White to off-White
Autoclavability
—
Smiles
NCC#Cc1cn(c(=O)nc1N)[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)C1
Shipping Conditions
Shipped on gel packs
Storage Conditions
Store at -20 °C Short term exposure up to 1 week cumulative to ambient temperature possible.
Storage Temperature
Store at -20 °C
Notes
Short term exposure (up to 1 week cumulative) to ambient temperature possible.
Shelf Life
12 months after date of delivery

Chemical Information

ap-dCTP
CAS Number115899-39-3
PubChem CID11283796
IUPAC Name[[(2R,3S,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC12H19N4O13P3
Molecular Weight520.22
XLogP-8.5
Topological Polar Surface Area274
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity1030
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)C#CCN)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C12H19N4O13P3/c13-3-1-2-7-5-16(12(18)15-11(7)14)10-4-8(17)9(27-10)6-26-31(22,23)29-32(24,25)28-30(19,20)21/h5,8-10,17H,3-4,6,13H2,(H,22,23)(H,24,25)(H2,14,15,18)(H2,19,20,21)/t8-,9+,10+/m0/s1
InChIKey
LVTQIVFSMGDIPF-IVZWLZJFSA-N
Chemical Structure
2D Structure
2D structure of ap-dCTP
CAS: 115899-39-3
CID: 11283796
Formula: C12H19N4O13P3
MW: 520.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.22
XLogP3-8.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Exact Mass520.01614767
Monoisotopic Mass520.01614767
Topological Polar Surface Area274 Ų
Heavy Atom Count32
Formal Charge0
Complexity1030
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
Product Datasheet
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Product MSDS
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