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115479-40-8 | 7H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-7-[5-O-[(1,1-dimethylethyl)dimethylsilyl]-2,3-O-(1-methylethylidene)-β-D-ribofuranosyl]-
CAS No: 115479-40-8 Catalog No: AG000G1Y MDL No:
Product Description
Catalog Number:
AG000G1Y
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-7-[5-O-[(1,1-dimethylethyl)dimethylsilyl]-2,3-O-(1-methylethylidene)-β-D-ribofuranosyl]-
CAS Number:
115479-40-8
Molecular Formula:
C20H31ClN4O4Si
Molecular Weight:
455.0230
IUPAC Name:
7-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-chloropyrrolo[2,3-d]pyrimidin-2-amine
InChI:
InChI=1S/C20H31ClN4O4Si/c1-19(2,3)30(6,7)26-10-12-13-14(29-20(4,5)28-13)17(27-12)25-9-8-11-15(21)23-18(22)24-16(11)25/h8-9,12-14,17H,10H2,1-7H3,(H2,22,23,24)/t12-,13-,14-,17-/m1/s1
InChI Key:
WXKYMEIKPSQDLH-VMUDFCTBSA-N
SMILES:
Nc1nc(Cl)c2c(n1)n(cc2)[C@@H]1O[C@@H]([C@H]2[C@@H]1OC(O2)(C)C)CO[Si](C(C)(C)C)(C)C
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
454.18g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
455.027g/mol
Monoisotopic Mass:
454.18g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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