(4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C15H20O5 — CID 138713352

IUPAC(4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCO[C@@H]1C[C@@H](OCc2ccccc2)[C@@H]2OCOC[C@H]2O1
InChIInChI=1S/C15H20O5/c1-16-14-7-12(15-13(20-14)9-17-10-19-15)18-8-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13-,14+,15+/m1/s1
InChIKeyRPRLADDJZAMARW-KBXIAJHMSA-N
MW280.32 g/mol
LogP1.71
Rot. Bonds4

About (4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

(4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 138713352) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is (4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
PubChem CID138713352
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name(4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCO[C@@H]1C[C@@H](OCc2ccccc2)[C@@H]2OCOC[C@H]2O1
InChIInChI=1S/C15H20O5/c1-16-14-7-12(15-13(20-14)9-17-10-19-15)18-8-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13-,14+,15+/m1/s1
InChIKeyRPRLADDJZAMARW-KBXIAJHMSA-N
XLogP1.71
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 67157648
(2R,4aR,6S,8S,8aS)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 129388590
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 14850336
6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane
CID 20751877
(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-methoxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-yl]oxy-2-methyl-4-phenylmethoxyoxan-3-ol
CID 102276288
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
[(2R,3R,4S,6S)-3-acetyloxy-6-methoxy-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 70364158
[(2S,3R,4S)-2-(iodomethyl)-6-methoxy-4-phenylmethoxyoxan-3-yl] benzoate
CID 67157471

Frequently Asked Questions

What is the IUPAC name of (4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 138713352) is (4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is CO[C@@H]1C[C@@H](OCc2ccccc2)[C@@H]2OCOC[C@H]2O1.
What is the InChIKey of (4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is RPRLADDJZAMARW-KBXIAJHMSA-N. The full InChI is InChI=1S/C15H20O5/c1-16-14-7-12(15-13(20-14)9-17-10-19-15)18-8-11-5-3-2-4-6-11/h2-6,12-15H,7-10H2,1H3/t12-,13-,14+,15+/m1/s1.
What are the key properties of (4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
(4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 280.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 138713352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).