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2852-31-5 | 9H-Purine-9-ethanol, 2-amino-6-[(phenylmethyl)thio]-
CAS No: 2852-31-5 Catalog No: AG002VMH MDL No:
Product Description
Catalog Number:
AG002VMH
Chemical Name:
9H-Purine-9-ethanol, 2-amino-6-[(phenylmethyl)thio]-
CAS Number:
2852-31-5
Molecular Formula:
C14H15N5OS
Molecular Weight:
301.3668
IUPAC Name:
2-(2-amino-6-benzylsulfanylpurin-9-yl)ethanol
InChI:
InChI=1S/C14H15N5OS/c15-14-17-12-11(16-9-19(12)6-7-20)13(18-14)21-8-10-4-2-1-3-5-10/h1-5,9,20H,6-8H2,(H2,15,17,18)
InChI Key:
KRXTVNPUCJMDKZ-UHFFFAOYSA-N
SMILES:
OCCn1cnc2c1nc(N)nc2SCc1ccccc1
UNII:
PGF4D65S15
NSC Number:
82646
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.368g/mol
Monoisotopic Mass:
301.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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