4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine

C19H27NO6 — CID 10570850

IUPAC4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine
SMILESCO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](N2CCOCC2)[C@@H]1OC
InChIInChI=1S/C19H27NO6/c1-21-17-15(20-8-10-23-11-9-20)16-14(25-19(17)22-2)12-24-18(26-16)13-6-4-3-5-7-13/h3-7,14-19H,8-12H2,1-2H3/t14-,15-,16-,17+,18-,19-/m1/s1
InChIKeySGWONSNMODANAP-WVXCVLBUSA-N
MW365.43 g/mol
LogP1.19
Rot. Bonds4

About 4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine

4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine (PubChem CID 10570850) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine.

Molecular Properties

Compound Name4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine
PubChem CID10570850
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Name4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine
SMILESCO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](N2CCOCC2)[C@@H]1OC
InChIInChI=1S/C19H27NO6/c1-21-17-15(20-8-10-23-11-9-20)16-14(25-19(17)22-2)12-24-18(26-16)13-6-4-3-5-7-13/h3-7,14-19H,8-12H2,1-2H3/t14-,15-,16-,17+,18-,19-/m1/s1
InChIKeySGWONSNMODANAP-WVXCVLBUSA-N
XLogP1.19
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine with MolForge

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Related Compounds

6-Methoxy-2-methyl-5-morpholino-2-(4-phenylphenyl)tetrahydropyran-3-ol
CID 5271564
N-(6-methoxy-8-methyl-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide
CID 384394
6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-amine
CID 326201
(8-Acetamido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) acetate
CID 291600
Uoxlcnzvjydkil-salivdarsa-
CID 21671334
Agn-PC-00efma
CID 4190357
(2R,4aR,6S,7S,8S,8aS)-8-azido-7-fluoro-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 21586038
(2R,4aS,6S,7R,8S,8aR)-7-azido-8-fluoro-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134934195
(2R,4aS,6S,7S,8R,8aR)-7-azido-8-fluoro-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134934464
(2R,4aS,7R,8R,8aS)-8-azido-6-fluoro-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134934465
(2R,4aS,6S,7S,8R,8aS)-8-azido-7-fluoro-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134934720
methyl 2,3-diazido-4,6-O-benzylidene-2,3-dideoxy-alpha-D-mannopyranoside
CID 10471933

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine?
The IUPAC name of 4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine (CID 10570850) is 4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine.
What is the SMILES notation for 4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine?
The canonical SMILES for 4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine is CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](N2CCOCC2)[C@@H]1OC.
What is the InChIKey of 4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine?
The InChIKey is SGWONSNMODANAP-WVXCVLBUSA-N. The full InChI is InChI=1S/C19H27NO6/c1-21-17-15(20-8-10-23-11-9-20)16-14(25-19(17)22-2)12-24-18(26-16)13-6-4-3-5-7-13/h3-7,14-19H,8-12H2,1-2H3/t14-,15-,16-,17+,18-,19-/m1/s1.
What are the key properties of 4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine?
4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine has a molecular weight of 365.43 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,4aR,6R,7S,8R,8aS)-6,7-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]morpholine is sourced from PubChem (CID 10570850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).