(3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol

C12H17NO4 — CID 135038627

IUPAC(3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol
SMILESCCO[C@H]1ON[C@@H](c2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H17NO4/c1-2-16-12-11(15)10(14)9(13-17-12)8-6-4-3-5-7-8/h3-7,9-15H,2H2,1H3/t9-,10-,11-,12-/m0/s1
InChIKeyLRAZZDLGJYXLJJ-BJDJZHNGSA-N
MW239.27 g/mol
LogP0.35
Rot. Bonds3

About (3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol

(3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol (PubChem CID 135038627) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is (3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol.

Molecular Properties

Compound Name(3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol
PubChem CID135038627
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name(3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol
SMILESCCO[C@H]1ON[C@@H](c2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H17NO4/c1-2-16-12-11(15)10(14)9(13-17-12)8-6-4-3-5-7-8/h3-7,9-15H,2H2,1H3/t9-,10-,11-,12-/m0/s1
InChIKeyLRAZZDLGJYXLJJ-BJDJZHNGSA-N
XLogP0.35
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol?
The IUPAC name of (3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol (CID 135038627) is (3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol.
What is the SMILES notation for (3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol?
The canonical SMILES for (3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol is CCO[C@H]1ON[C@@H](c2ccccc2)[C@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol?
The InChIKey is LRAZZDLGJYXLJJ-BJDJZHNGSA-N. The full InChI is InChI=1S/C12H17NO4/c1-2-16-12-11(15)10(14)9(13-17-12)8-6-4-3-5-7-8/h3-7,9-15H,2H2,1H3/t9-,10-,11-,12-/m0/s1.
What are the key properties of (3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol?
(3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol has a molecular weight of 239.27 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S,6S)-6-ethoxy-3-phenyloxazinane-4,5-diol is sourced from PubChem (CID 135038627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).