[Go]
PubMed | Entrez | Structure | PubChem | Help
PubChem  » Substance Summary
 


(-)-Ormosanine - Substance Summary (SID 12960)


Data Source:   
Depositor: KEGG
External ID: C10777

Depositor-Supplied Synonyms: (Total: 3)
Sort:
(-)-Ormosanine
C10777
5001-21-8


Properties Computed from Structure:
Molecular Weight317.512 [g/mol]
Molecular FormulaC20H35N3
XLogP3-AA2.7
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count1
Exact Mass317.283098
MonoIsotopic Mass317.283098
Topological Polar Surface Area27.3
Heavy Atom Count23
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom StereoCenter Count6
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
Canonical SMILES: C1CCNC(C1)C23CC(CC4C2NCCC4)C5CCCCN5C3
Isomeric SMILES: C1CCN[C@H](C1)[C@]23C[C@@H](C[C@H]4[C@H]2NCCC4)[C@H]5CCCCN5C3
InChI: InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-
7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16+,17+,18+,19+,20+/m0/s1
InChIKey: YUKCLPPRYNXRAF-RFVXBFLTSA-N


Substance Information:
SID 12960   
Deposit Date: 2005-06-24
Modify Date: 2008-09-10

CID 442959   
Create Date: 2005-06-24

Related Substances:
Same: 3 Links
Same, Connectivity: 33 Links

Similar Substances: 44 Links


Depositor-Supplied Comments:
CAS: 5001-21-8
KNApSAcK: C00002230
     
Compound Displayed

2D

3D
Compound ID442959
Molecular Weight317.512 [g/mol]
Molecular FormulaC20H35N3
XLogP3-AA2.7
H-Bond Donor2
H-Bond Acceptor3


 Write to Helpdesk | Disclaimer | Privacy statement | Accessibility