(5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol

C13H15NO5 — CID 102585153

IUPAC(5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol
SMILESO[C@H]1[C@H](O)CO[C@@]2(CC(c3ccccc3)=NO2)[C@@H]1O
InChIInChI=1S/C13H15NO5/c15-10-7-18-13(12(17)11(10)16)6-9(14-19-13)8-4-2-1-3-5-8/h1-5,10-12,15-17H,6-7H2/t10-,11+,12-,13-/m1/s1
InChIKeySIOFJKRYPXIAAY-YVECIDJPSA-N
MW265.26 g/mol
LogP-0.38
Rot. Bonds1

About (5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol

(5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol (PubChem CID 102585153) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is (5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol.

Molecular Properties

Compound Name(5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol
PubChem CID102585153
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol
SMILESO[C@H]1[C@H](O)CO[C@@]2(CC(c3ccccc3)=NO2)[C@@H]1O
InChIInChI=1S/C13H15NO5/c15-10-7-18-13(12(17)11(10)16)6-9(14-19-13)8-4-2-1-3-5-8/h1-5,10-12,15-17H,6-7H2/t10-,11+,12-,13-/m1/s1
InChIKeySIOFJKRYPXIAAY-YVECIDJPSA-N
XLogP-0.38
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol?
The IUPAC name of (5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol (CID 102585153) is (5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol.
What is the SMILES notation for (5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol?
The canonical SMILES for (5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol is O[C@H]1[C@H](O)CO[C@@]2(CC(c3ccccc3)=NO2)[C@@H]1O.
What is the InChIKey of (5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol?
The InChIKey is SIOFJKRYPXIAAY-YVECIDJPSA-N. The full InChI is InChI=1S/C13H15NO5/c15-10-7-18-13(12(17)11(10)16)6-9(14-19-13)8-4-2-1-3-5-8/h1-5,10-12,15-17H,6-7H2/t10-,11+,12-,13-/m1/s1.
What are the key properties of (5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol?
(5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol has a molecular weight of 265.26 g/mol, XLogP of -0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7S,8R)-3-phenyl-1,10-dioxa-2-azaspiro[4.5]dec-2-ene-6,7,8-triol is sourced from PubChem (CID 102585153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).