trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione

C6H10N2O4S2Se — CID 141179999

IUPACtrans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione
SMILESN[C@H]1CSSC[C@H](N)C(=O)O[Se]OC1=O
InChIInChI=1S/C6H10N2O4S2Se/c7-3-1-13-14-2-4(8)6(10)12-15-11-5(3)9/h3-4H,1-2,7-8H2/t3-,4-/m0/s1
InChIKeyITZFWESLCOJNRV-IMJSIDKUSA-N
MW317.25 g/mol
LogP-1.34
Rot. Bonds

About trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione

trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione (PubChem CID 141179999) has the molecular formula C6H10N2O4S2Se and a molecular weight of 317.25 g/mol. Its IUPAC name is trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione.

Molecular Properties

Compound Nametrans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione
PubChem CID141179999
Molecular FormulaC6H10N2O4S2Se
Molecular Weight317.25 g/mol
Exact Mass317.92
IUPAC Nametrans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione
SMILESN[C@H]1CSSC[C@H](N)C(=O)O[Se]OC1=O
InChIInChI=1S/C6H10N2O4S2Se/c7-3-1-13-14-2-4(8)6(10)12-15-11-5(3)9/h3-4H,1-2,7-8H2/t3-,4-/m0/s1
InChIKeyITZFWESLCOJNRV-IMJSIDKUSA-N
XLogP-1.34
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione with MolForge

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Related Compounds

5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione
CID 14767706
2,7-diamino-8-oxo-9-oxa-4,5-dithiaspiro[2.7]decane-2-carboxylic acid
CID 141083855
(4S)-4-aminooxolan-3-one
CID 59107733
4-aminothiolan-3-one
CID 20528374
(3S)-3-aminooxolan-2-one;hydrochloride
CID 2733667
4-amino-1,2-oxazolidin-3-one
CID 401
(3S)-3-aminooxolane-2,5-dione;zinc
CID 174884876
4-amino-1,2-oxazolidin-3-one
CID 22411006
(3R,4R)-3-amino-4-(hydroxymethyl)oxolan-2-one
CID 146155024
4,6,11,17-tetraamino-1,5,12,14,18-pentaoxo-13-oxa-8,9-dithiaspiro[6.11]octadecane-6-carboxylic acid
CID 141046834
(3S)-3-aminooxolan-2-one;ethane
CID 90724165
4-amino-2,2-dimethyloxolan-3-one
CID 126990472

Frequently Asked Questions

What is the IUPAC name of trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione?
The IUPAC name of trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione (CID 141179999) is trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione.
What is the SMILES notation for trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione?
The canonical SMILES for trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione is N[C@H]1CSSC[C@H](N)C(=O)O[Se]OC1=O.
What is the InChIKey of trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione?
The InChIKey is ITZFWESLCOJNRV-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H10N2O4S2Se/c7-3-1-13-14-2-4(8)6(10)12-15-11-5(3)9/h3-4H,1-2,7-8H2/t3-,4-/m0/s1.
What are the key properties of trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione?
trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione has a molecular weight of 317.25 g/mol, XLogP of -1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(5R,10R)-5,10-diamino-1,3-dioxa-7,8-dithia-2-selenacycloundecane-4,11-dione is sourced from PubChem (CID 141179999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).