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1921-48-8 | Adenosine 5'-(trihydrogen diphosphate), P'?5'-ester with1,4-dihydro-1-b-D-ribofuranosyl-3-pyridinecarbothioamide
CAS No: 1921-48-8 Catalog No: AG00I2UT MDL No:
Product Description
Catalog Number:
AG00I2UT
Chemical Name:
Adenosine 5'-(trihydrogen diphosphate), P'?5'-ester with1,4-dihydro-1-b-D-ribofuranosyl-3-pyridinecarbothioamide
CAS Number:
1921-48-8
IUPAC Name:
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamothioyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
InChI:
InChI=1S/C21H29N7O13P2S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(40-21)6-38-43(35,36)41-42(33,34)37-5-10-13(29)15(31)20(39-10)27-3-1-2-9(4-27)18(23)44/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,44)(H,33,34)(H,35,36)(H2,22,24,25)
InChI Key:
MOXCZUNQKXFVSH-UHFFFAOYSA-N
Properties
Complexity:
1240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
681.102g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
681.507g/mol
Monoisotopic Mass:
681.102g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
333A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.1
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