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1200462-11-8 | 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]-
CAS No: 1200462-11-8 Catalog No: AG000Q6N MDL No:
Product Description
Catalog Number:
AG000Q6N
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]-
CAS Number:
1200462-11-8
Molecular Formula:
C24H42ClN3O4Si2
Molecular Weight:
528.2320
IUPAC Name:
[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/C24H42ClN3O4Si2/c1-23(2,3)33(7,8)30-14-18-17(32-34(9,10)24(4,5)6)11-19(31-18)28-12-16(13-29)20-21(25)26-15-27-22(20)28/h12,15,17-19,29H,11,13-14H2,1-10H3/t17-,18+,19-/m0/s1
InChI Key:
AXAPBUXBGVNXIJ-OTWHNJEPSA-N
SMILES:
OCc1cn(c2c1c(Cl)ncn2)[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:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
527.24g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
528.237g/mol
Monoisotopic Mass:
527.24g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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