trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione

C10H18N2O6 — CID 12065729

IUPACtrans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione
SMILESO=C1NCCOCCOCCNC(=O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18N2O6/c13-7-8(14)10(16)12-2-4-18-6-5-17-3-1-11-9(7)15/h7-8,13-14H,1-6H2,(H,11,15)(H,12,16)/t7-,8-/m1/s1
InChIKeyAJKMSIBHIXURNT-HTQZYQBOSA-N
MW262.26 g/mol
LogP-3.01
Rot. Bonds

About trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione

trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione (PubChem CID 12065729) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione.

Molecular Properties

Compound Nametrans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione
PubChem CID12065729
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Nametrans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione
SMILESO=C1NCCOCCOCCNC(=O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18N2O6/c13-7-8(14)10(16)12-2-4-18-6-5-17-3-1-11-9(7)15/h7-8,13-14H,1-6H2,(H,11,15)(H,12,16)/t7-,8-/m1/s1
InChIKeyAJKMSIBHIXURNT-HTQZYQBOSA-N
XLogP-3.01
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-3.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione?
The IUPAC name of trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione (CID 12065729) is trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione.
What is the SMILES notation for trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione?
The canonical SMILES for trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione is O=C1NCCOCCOCCNC(=O)[C@H](O)[C@H]1O.
What is the InChIKey of trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione?
The InChIKey is AJKMSIBHIXURNT-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18N2O6/c13-7-8(14)10(16)12-2-4-18-6-5-17-3-1-11-9(7)15/h7-8,13-14H,1-6H2,(H,11,15)(H,12,16)/t7-,8-/m1/s1.
What are the key properties of trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione?
trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione has a molecular weight of 262.26 g/mol, XLogP of -3.01, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(9R,10R)-9,10-dihydroxy-1,4-dioxa-7,12-diazacyclotetradecane-8,11-dione is sourced from PubChem (CID 12065729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).