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114748-70-8 | 2-Furanmethanol, 5-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-, (2S,5R)-
CAS No: 114748-70-8 Catalog No: AG000F5M MDL No:
Product Description
Catalog Number:
AG000F5M
Chemical Name:
2-Furanmethanol, 5-(4-amino-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-, (2S,5R)-
CAS Number:
114748-70-8
Molecular Formula:
C11H13IN4O2
Molecular Weight:
360.1510
IUPAC Name:
[5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methanol
InChI:
InChI=1S/C11H13IN4O2/c12-7-3-16(8-2-1-6(4-17)18-8)11-9(7)10(13)14-5-15-11/h3,5-6,8,17H,1-2,4H2,(H2,13,14,15)
InChI Key:
OEZWDZXBBPSXGY-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1c(I)cn2[C@H]1CC[C@H](O1)CO
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.155g/mol
Monoisotopic Mass:
360.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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