CID 44384583
PubChem CID
44384583
Structure
Molecular Formula
Status
Non-live
Molecular Weight
395.4 g/mol
Dates
- Create:2009-11-19
Chemical Structure Depiction
(12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxyspiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,5'-furan]-2'-one
InChI=1S/C23H25NO5/c25-15-4-3-14-11-16-23(27)8-7-21(6-5-17(26)29-21)20-22(23,18(14)19(15)28-20)9-10-24(16)12-13-1-2-13/h3-6,13,16,20,25,27H,1-2,7-12H2/t16?,20?,21?,22-,23?/m0/s1
ZRIPUBOFPUUGEX-ILURHBKOSA-N
C1CC1CN2CC[C@]34C5C6(CCC3(C2CC7=C4C(=C(C=C7)O)O5)O)C=CC(=O)O6
C23H25NO5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
395.4 g/mol
Property Name
XLogP3
Property Value
0.1
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
395.17327290 g/mol
Property Name
Monoisotopic Mass
Property Value
395.17327290 g/mol
Property Name
Topological Polar Surface Area
Property Value
79.2 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
796
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
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
Old substance
Old substance
CONTENTS