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AP4dT

CAT: 0220-NU-501LSize: 5x 50 µLDry Ice: NoHazardous: No
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CAT#:0220-NU-501LSize:5x 50 µL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13457-68-6
UNSPSC
12352208
UNSPSC Description
Nucleic acids
HS Code
29349990
eClass Number
34160990
eClass Product Group
Nucleinsäure (nicht klassifiziert)
Concentration
(10 mM)
Purity
≥ 95 % (HPLC)
Form
Solution in water
pH
7.5 ±0.5
Color
Colorless to slightly yellow
Autoclavability
—
Smiles
O=P(OP(=O)(OP(=O)(OCC1O[C@@H](n2c(=O)[nH]c(=O)c(C)c2)C[C@@H]1O)O)O)(OP(=O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n1c2c(nc1)c(ncn2)N)O)O)O)O
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

P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate
CAS Number13457-68-6
PubChem CID447779
IUPAC Name[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl] hydrogen phosphate
Molecular FormulaC20H29N7O20P4
Molecular Weight811.4
XLogP-7.3
Topological Polar Surface Area394
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count24
Rotatable Bond Count14
Heavy Atom Count51
Formal Charge0
Complexity1580
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O
InChI
InChI=1S/C20H29N7O20P4/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(43-12)4-41-48(33,34)45-50(37,38)47-51(39,40)46-49(35,36)42-5-11-14(29)15(30)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12+,14+,15+,19+/m0/s1
InChIKey
WLGHSSFVEUABFP-SLFMBYJQSA-N
Chemical Structure
2D Structure
2D structure of P(1)-(adenosine-5')-P(5)-(thymidine-5')-pentaphosphate
CAS: 13457-68-6
CID: 447779
Formula: C20H29N7O20P4
MW: 811.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight811.4
XLogP3-7.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count24
Rotatable Bond Count14
Exact Mass811.04178433
Monoisotopic Mass811.04178433
Topological Polar Surface Area394 Ų
Heavy Atom Count51
Formal Charge0
Complexity1580
Isotope Atom Count0
Defined Atom Stereocenter Count7
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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HY-168345AAp4dT
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