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115479-39-5 | 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-[5-O-[(1,1-dimethylethyl)dimethylsilyl]-2,3-O-(1-methylethylidene)-β-D-ribofuranosyl]-
CAS No: 115479-39-5 Catalog No: AG000G1Z MDL No:
Product Description
Catalog Number:
AG000G1Z
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-[5-O-[(1,1-dimethylethyl)dimethylsilyl]-2,3-O-(1-methylethylidene)-β-D-ribofuranosyl]-
CAS Number:
115479-39-5
Molecular Formula:
C20H30ClN3O4Si
Molecular Weight:
440.0084
IUPAC Name:
[(3aR,4R,6R,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
InChI:
InChI=1S/C20H30ClN3O4Si/c1-19(2,3)29(6,7)25-10-13-14-15(28-20(4,5)27-14)18(26-13)24-9-8-12-16(21)22-11-23-17(12)24/h8-9,11,13-15,18H,10H2,1-7H3/t13-,14-,15-,18-/m1/s1
InChI Key:
PTFANUVYJLNMOM-ATNYBXOESA-N
SMILES:
Clc1ncnc2c1ccn2[C@@H]1O[C@@H](C2[C@@H]1OC(O2)(C)C)CO[Si](C(C)(C)C)(C)C
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
439.169g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
440.012g/mol
Monoisotopic Mass:
439.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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