(2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one

C14H16O5 — CID 11010832

IUPAC(2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one
SMILESCO[C@@H]1CC(=O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O1
InChIInChI=1S/C14H16O5/c1-16-12-7-10(15)13-11(18-12)8-17-14(19-13)9-5-3-2-4-6-9/h2-6,11-14H,7-8H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKeyUUNOJMADDVNEMA-ZOBORPQBSA-N
MW264.28 g/mol
LogP1.43
Rot. Bonds2

About (2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one

(2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one (PubChem CID 11010832) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one.

Molecular Properties

Compound Name(2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one
PubChem CID11010832
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name(2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one
SMILESCO[C@@H]1CC(=O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O1
InChIInChI=1S/C14H16O5/c1-16-12-7-10(15)13-11(18-12)8-17-14(19-13)9-5-3-2-4-6-9/h2-6,11-14H,7-8H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKeyUUNOJMADDVNEMA-ZOBORPQBSA-N
XLogP1.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 4,6-O-benzylidene-alpha-D-glucopyranoside
CID 11822086
Methyl 2,3-anhydro-4,6-O-benzylidenehexopyranoside
CID 97796
6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 102946
Methyl 4,6-O-benzylidene-a-D-galactopyranoside
CID 11129745
Methyl 2,3-di-O-acetyl-4,6-O-benzylidenehexopyranoside
CID 234981
Diethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate
CID 496418
Dimethyl (4R,5R)-2-phenyl-1,3-dioxolane-4,5-dicarboxylate
CID 719737
6,8-Dimethoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 9549725
(2R,4aR,6S,7S,8R,8aR)-6-allyl-7,8-dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 15954357
Mls003107267
CID 320172
(4R,4aS,8aR)-4-(dimethoxymethyl)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 44588456
1,6-Anhydro-4-O-benzyl-3-deoxy-beta-D-erythro-hexopyranos-2-ulose
CID 67930744

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one?
The IUPAC name of (2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one (CID 11010832) is (2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one.
What is the SMILES notation for (2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one?
The canonical SMILES for (2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one is CO[C@@H]1CC(=O)[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O1.
What is the InChIKey of (2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one?
The InChIKey is UUNOJMADDVNEMA-ZOBORPQBSA-N. The full InChI is InChI=1S/C14H16O5/c1-16-12-7-10(15)13-11(18-12)8-17-14(19-13)9-5-3-2-4-6-9/h2-6,11-14H,7-8H2,1H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of (2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one?
(2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one has a molecular weight of 264.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,8aR)-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-one is sourced from PubChem (CID 11010832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).