(6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

C18H25NO6 — CID 134838559

IUPAC(6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCO[C@H]1OC2COC(c3ccccc3)O[C@H]2C(O)C1N1CCOCC1
InChIInChI=1S/C18H25NO6/c1-21-18-14(19-7-9-22-10-8-19)15(20)16-13(24-18)11-23-17(25-16)12-5-3-2-4-6-12/h2-6,13-18,20H,7-11H2,1H3/t13?,14?,15?,16-,17?,18+/m1/s1
InChIKeyCUSOSLDIDXAGNG-YLTLYNSQSA-N
MW351.40 g/mol
LogP0.53
Rot. Bonds3

About (6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

(6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (PubChem CID 134838559) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is (6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.

Molecular Properties

Compound Name(6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
PubChem CID134838559
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name(6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCO[C@H]1OC2COC(c3ccccc3)O[C@H]2C(O)C1N1CCOCC1
InChIInChI=1S/C18H25NO6/c1-21-18-14(19-7-9-22-10-8-19)15(20)16-13(24-18)11-23-17(25-16)12-5-3-2-4-6-12/h2-6,13-18,20H,7-11H2,1H3/t13?,14?,15?,16-,17?,18+/m1/s1
InChIKeyCUSOSLDIDXAGNG-YLTLYNSQSA-N
XLogP0.53
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol with MolForge

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Related Compounds

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2-Acetamido-4,6-o-benzylidene-2-deoxy-D-glucopyranose
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Frequently Asked Questions

What is the IUPAC name of (6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The IUPAC name of (6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (CID 134838559) is (6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.
What is the SMILES notation for (6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The canonical SMILES for (6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is CO[C@H]1OC2COC(c3ccccc3)O[C@H]2C(O)C1N1CCOCC1.
What is the InChIKey of (6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The InChIKey is CUSOSLDIDXAGNG-YLTLYNSQSA-N. The full InChI is InChI=1S/C18H25NO6/c1-21-18-14(19-7-9-22-10-8-19)15(20)16-13(24-18)11-23-17(25-16)12-5-3-2-4-6-12/h2-6,13-18,20H,7-11H2,1H3/t13?,14?,15?,16-,17?,18+/m1/s1.
What are the key properties of (6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
(6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol has a molecular weight of 351.40 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8aS)-6-methoxy-7-morpholin-4-yl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is sourced from PubChem (CID 134838559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).