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Home > Other Building Blocks > 1927-31-7
1927-31-7 | Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-
CAS No: 1927-31-7 Catalog No: AG002G7Y MDL No:MFCD00080335
Product Description
Catalog Number:
AG002G7Y
Chemical Name:
Adenosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-
CAS Number:
1927-31-7
Molecular Formula:
C10H16N5O12P3
Molecular Weight:
491.1816
MDL Number:
MFCD00080335
IUPAC Name:
[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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
InChI Key:
SUYVUBYJARFZHO-RRKCRQDMSA-N
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N
EC Number:
217-662-3
UNII:
K8KCC8SH6N
Properties
Complexity:
769
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
491.001g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
491.182g/mol
Monoisotopic Mass:
491.001g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
259A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4
Literature
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