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DATP – Solution

CAT: 1106-JBS-NU-1001LSize: 1 mLDry Ice: NoHazardous: No
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CAT#:1106-JBS-NU-1001LSize:1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1927-31-7
Certification
RUO
Type
Modified nucleotides
Concentration
100 mM – 110 mM
Purity
≥ 99 % (HPLC)
Molecular Formula
C 10 H 16 N 5 O 12 P 3 (free acid)
Molecular Weight
491.18 (free acid)
Shipping Conditions
Blue Ice
Storage Conditions
-20°C
Notes
For the Original Manufacturer’s data sheet please click here .
Appearance
Clear solution
Formulation
100 mM Sodium salt solution

Chemical Information

Datp

DATP is a purine 2'-deoxyribonucleoside 5'-triphosphate having adenine as the nucleobase. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a 2'-deoxyadenosine 5'-phosphate and a purine 2'-deoxyribonucleoside 5'-triphosphate. It is a conjugate acid of a dATP(3-).

CAS Number1927-31-7
PubChem CID15993
IUPAC Name[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular FormulaC10H16N5O12P3
Molecular Weight491.18
XLogP-4.4
Topological Polar Surface Area259
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity769
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI
InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKey
SUYVUBYJARFZHO-RRKCRQDMSA-N
Chemical Structure
2D Structure
2D structure of Datp
CAS: 1927-31-7
CID: 15993
Formula: C10H16N5O12P3
MW: 491.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.18
XLogP3-4.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass491.00083196
Monoisotopic Mass491.00083196
Topological Polar Surface Area259 Ų
Heavy Atom Count30
Formal Charge0
Complexity769
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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