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XTPγS

CAT: 0220-NU-404-5Size: 5 mgDry Ice: YesHazardous: No
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CAT#:0220-NU-404-5Size:5 mg
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CAS Number
723313-37-9
UNSPSC
12352208
UNSPSC Description
Nucleic acids
HS Code
29349990
eClass Number
34160990
eClass Product Group
Nucleinsäure (nicht klassifiziert)
Purity
≥ 90 % (HPLC)
Form
Solid
Color
White to off-White
Autoclavability
—
Smiles
[C@@H]1([C@H]([C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=S)(O)O)O)O)n1c2c(nc1)c(=O)[nH]c(=O)[nH]2)O)O
Shipping Conditions
Shipped on dry ice
Storage Conditions
Store at -20 °C
Storage Temperature
Store at -20 °C
Shelf Life
6 months after date of delivery

Chemical Information

dihydroxyphosphinothioyl [[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
CAS Number723313-37-9
PubChem CID100925674
IUPAC Namedihydroxyphosphinothioyl [[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Molecular FormulaC10H15N4O14P3S
Molecular Weight540.23
XLogP-4.5
Topological Polar Surface Area301
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity917
SMILES
C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)NC(=O)NC2=O
InChI
InChI=1S/C10H15N4O14P3S/c15-5-3(1-25-29(19,20)27-30(21,22)28-31(23,24)32)26-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1
InChIKey
IAOZVDCRMYYKMQ-UUOKFMHZSA-N
Chemical Structure
2D Structure
2D structure of dihydroxyphosphinothioyl [[(2R,3S,4R,5R)-5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
CAS: 723313-37-9
CID: 100925674
Formula: C10H15N4O14P3S
MW: 540.23
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight540.23
XLogP3-4.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass539.95183333
Monoisotopic Mass539.95183333
Topological Polar Surface Area301 Ų
Heavy Atom Count32
Formal Charge0
Complexity917
Isotope Atom Count0
Defined Atom Stereocenter Count4
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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