CID 42066813
PubChem CID
42066813
Structure
Molecular Formula
Status
Non-live
Molecular Weight
479.0 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
[(8S,9R,10R,13S,14R,16S,17R)-17-(2-chloroacetyl)-9-fluoro-10,13,16-trimethyl-3,11-dioxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl] butanoate
InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19+,23+,24-,25-,26-/m0/s1
FBRAWBYQGRLCEK-ABNMQODNSA-N
CCCC(=O)O[C@@]1([C@H](C[C@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@]43C)F)C)C)C(=O)CCl
C26H32ClFO5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
479.0 g/mol
Property Name
XLogP3
Property Value
3.8
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
478.1922300 g/mol
Property Name
Monoisotopic Mass
Property Value
478.1922300 g/mol
Property Name
Topological Polar Surface Area
Property Value
77.5 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
987
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
7
Property Name
Undefined Atom Stereocenter Count
Property Value
0
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