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14047-27-9 | 9H-Purine-9-ethanol, 6-amino-α-methyl-, (αS)-
CAS No: 14047-27-9 Catalog No: AG001CIL MDL No:MFCD20698392
Product Description
Catalog Number:
AG001CIL
Chemical Name:
9H-Purine-9-ethanol, 6-amino-α-methyl-, (αS)-
CAS Number:
14047-27-9
Molecular Formula:
C8H11N5O
Molecular Weight:
193.2058
MDL Number:
MFCD20698392
IUPAC Name:
(2S)-1-(6-aminopurin-9-yl)propan-2-ol
InChI:
InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m0/s1
InChI Key:
MJZYTEBKXLVLMY-YFKPBYRVSA-N
SMILES:
C[C@@H](Cn1cnc2c1ncnc2N)O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
193.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.21g/mol
Monoisotopic Mass:
193.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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