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1200461-84-2 | 7H-Pyrrolo[2,3-d]pyrimidine-5-methanol, 4-chloro-7-[2-deoxy-3,5-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-β-D-erythro-pentofuranosyl]-2-[[(1,1-dimethylethyl)dimethylsilyl]amino]-
CAS No: 1200461-84-2 Catalog No: AG000Q6O MDL No:
Product Description
Catalog Number:
AG000Q6O
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine-5-methanol, 4-chloro-7-[2-deoxy-3,5-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-β-D-erythro-pentofuranosyl]-2-[[(1,1-dimethylethyl)dimethylsilyl]amino]-
CAS Number:
1200461-84-2
Molecular Formula:
C30H57ClN4O4Si3
Molecular Weight:
657.5075
IUPAC Name:
[2-[[tert-butyl(dimethyl)silyl]amino]-7-[(2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-chloropyrrolo[2,3-d]pyrimidin-5-yl]methanol
InChI:
InChI=1S/C30H57ClN4O4Si3/c1-28(2,3)40(10,11)34-27-32-25(31)24-20(18-36)17-35(26(24)33-27)23-16-21(39-42(14,15)30(7,8)9)22(38-23)19-37-41(12,13)29(4,5)6/h17,21-23,36H,16,18-19H2,1-15H3,(H,32,33,34)/t21-,22+,23-/m0/s1
InChI Key:
CFRVSHCYKCFJDI-ZRBLBEILSA-N
SMILES:
OCc1cn(c2c1c(Cl)nc(n2)N[Si](C(C)(C)C)(C)C)[C@H]1C[C@@H]([C@H](O1)CO[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
Properties
Complexity:
922
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
656.338g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
657.515g/mol
Monoisotopic Mass:
656.338g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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