CID 75022525
PubChem CID
75022525
Structure
Molecular Formula
Status
Non-live
Molecular Weight
434.9 g/mol
Dates
- Create:2014-07-03
Chemical Structure Depiction
4-(aminomethyl)-2-[6-[(5-chloro-2-methoxyphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
InChI=1S/C19H23ClN6O4/c1-29-13-3-2-11(20)4-10(13)6-22-17-15-18(24-8-23-17)26(9-25-15)19-16(28)12(5-21)14(7-27)30-19/h2-4,8-9,12,14,16,19,27-28H,5-7,21H2,1H3,(H,22,23,24)
SESOMNINYWTXPA-UHFFFAOYSA-N
COC1=C(C=C(C=C1)Cl)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)CN)O
C19H23ClN6O4
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
434.9 g/mol
Property Name
XLogP3-AA
Property Value
0.8
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Property Name
Rotatable Bond Count
Property Value
7
Property Name
Exact Mass
Property Value
434.1469309 g/mol
Property Name
Monoisotopic Mass
Property Value
434.1469309 g/mol
Property Name
Topological Polar Surface Area
Property Value
141 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
565
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
4
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS