7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol

C15H27NO4 — CID 91259368

IUPAC7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol
SMILESOC1CCCC2(C1)CC(O)CC1(CCCC(O)C1)N2O
InChIInChI=1S/C15H27NO4/c17-11-3-1-5-14(7-11)9-13(19)10-15(16(14)20)6-2-4-12(18)8-15/h11-13,17-20H,1-10H2
InChIKeyQDYCTHRNQDWYAM-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.18
Rot. Bonds

About 7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol

7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol (PubChem CID 91259368) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol.

Molecular Properties

Compound Name7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol
PubChem CID91259368
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol
SMILESOC1CCCC2(C1)CC(O)CC1(CCCC(O)C1)N2O
InChIInChI=1S/C15H27NO4/c17-11-3-1-5-14(7-11)9-13(19)10-15(16(14)20)6-2-4-12(18)8-15/h11-13,17-20H,1-10H2
InChIKeyQDYCTHRNQDWYAM-UHFFFAOYSA-N
XLogP1.18
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol?
The IUPAC name of 7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol (CID 91259368) is 7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol.
What is the SMILES notation for 7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol?
The canonical SMILES for 7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol is OC1CCCC2(C1)CC(O)CC1(CCCC(O)C1)N2O.
What is the InChIKey of 7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol?
The InChIKey is QDYCTHRNQDWYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c17-11-3-1-5-14(7-11)9-13(19)10-15(16(14)20)6-2-4-12(18)8-15/h11-13,17-20H,1-10H2.
What are the key properties of 7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol?
7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol has a molecular weight of 285.38 g/mol, XLogP of 1.18, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-7-azadispiro[5.1.58.36]hexadecane-4,10,15-triol is sourced from PubChem (CID 91259368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).