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150518-46-0 | Guanosine 5'-(trihydrogen diphosphate), 8-azido-, P'-α-D-mannopyranosyl ester (9CI)
CAS No: 150518-46-0 Catalog No: AG001MNY MDL No:
Product Description
Catalog Number:
AG001MNY
Chemical Name:
Guanosine 5'-(trihydrogen diphosphate), 8-azido-, P'-α-D-mannopyranosyl ester (9CI)
CAS Number:
150518-46-0
Molecular Formula:
C16H26N8O15P2
Molecular Weight:
632.3698
IUPAC Name:
[(2R,3S,4R,5R)-5-(2-amino-8-azido-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
InChI:
InChI=1S/C10H10N8O9P2.C6H12O6/c11-9-14-6-3(7(21)15-9)13-10(16-17-12)18(6)8-5(20)4(19)2(26-8)1-25-29(24)27-28(22)23;7-1-3(9)5(11)6(12)4(10)2-8/h2,4-5,8,19-20H,1H2,(H2-2,11,14,15,21,22,23);1,3-6,8-12H,2H2/p+2/t2-,4-,5-,8-;3-,4-,5-,6-/m11/s1
InChI Key:
AHNCAAFGBVNMHN-OUXWRTGHSA-P
SMILES:
OC[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O.[N-]=[N+]=Nc1nc2c(n1[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)OP(=O)O)nc([nH]c2=O)N
Properties
Complexity:
931
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
630.084g/mol
Formal Charge:
2
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
630.357g/mol
Monoisotopic Mass:
630.084g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
340A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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