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

C25H30O7 — CID 101345633

IUPAC(2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol
SMILESC=CC[C@@]1(O)[C@@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C25H30O7/c1-4-14-25(26)22(29-15-17-10-12-19(27-2)13-11-17)21-20(31-24(25)28-3)16-30-23(32-21)18-8-6-5-7-9-18/h4-13,20-24,26H,1,14-16H2,2-3H3/t20-,21-,22+,23-,24+,25+/m1/s1
InChIKeyKOTLDPRBKJDVLM-RIQJQHKOSA-N
MW442.51 g/mol
LogP3.37
Rot. Bonds8

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

(2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol (PubChem CID 101345633) has the molecular formula C25H30O7 and a molecular weight of 442.51 g/mol. Its IUPAC name is (2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol.

Molecular Properties

Compound Name(2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol
PubChem CID101345633
Molecular FormulaC25H30O7
Molecular Weight442.51 g/mol
Exact Mass442.20
IUPAC Name(2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol
SMILESC=CC[C@@]1(O)[C@@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCc1ccc(OC)cc1
InChIInChI=1S/C25H30O7/c1-4-14-25(26)22(29-15-17-10-12-19(27-2)13-11-17)21-20(31-24(25)28-3)16-30-23(32-21)18-8-6-5-7-9-18/h4-13,20-24,26H,1,14-16H2,2-3H3/t20-,21-,22+,23-,24+,25+/m1/s1
InChIKeyKOTLDPRBKJDVLM-RIQJQHKOSA-N
XLogP3.37
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

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Related Compounds

(6R,8S,8aS)-6-methoxy-7-[(4-methoxyphenyl)methoxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 59269860
6-(4-methoxyphenoxy)-2-phenyl-7-phenylmethoxy-8-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 75059408
(4aR,6R,7R,8S,8aR)-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-thiolate
CID 102191031
(4aR,6R,7R,8R,8aS)-8-[(4-methoxyphenyl)methoxy]-2-phenyl-6-(2-trimethylsilylethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 68732319
(4aR,6R,7S,8R,8aR)-8-[(4-methoxyphenyl)methoxy]-2-phenyl-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 90110876
(2S,4aR,6S,7R,8R,8aS)-6-ethylsulfanyl-8-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 24814328
[(4aR,6S,7S,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-6-prop-2-enoxy-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-yl]methanol
CID 101096586
[(2R,4aR,6R,7R,8S,8aR)-2-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methoxy]-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate
CID 42611704
(4aR,6S,7R,8S,8aR)-6-(4-methoxyphenoxy)-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 101479255
(2R,4aR,6R,7R,8R,8aR)-2-(4-methoxyphenyl)-6-methyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 97302296
N-[(4aR,6R,7R,8R,8aS)-8-hydroxy-6-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 15298784
(2R,4aR,6S,7R,8S,8aR)-2-(4-methoxyphenyl)-8-phenylmethoxy-6-phenylsulfanyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 10815834

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol?
The IUPAC name of (2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol (CID 101345633) is (2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol.
What is the SMILES notation for (2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol?
The canonical SMILES for (2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol is C=CC[C@@]1(O)[C@@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCc1ccc(OC)cc1.
What is the InChIKey of (2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol?
The InChIKey is KOTLDPRBKJDVLM-RIQJQHKOSA-N. The full InChI is InChI=1S/C25H30O7/c1-4-14-25(26)22(29-15-17-10-12-19(27-2)13-11-17)21-20(31-24(25)28-3)16-30-23(32-21)18-8-6-5-7-9-18/h4-13,20-24,26H,1,14-16H2,2-3H3/t20-,21-,22+,23-,24+,25+/m1/s1.
What are the key properties of (2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol?
(2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol has a molecular weight of 442.51 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,7S,8S,8aR)-6-methoxy-8-[(4-methoxyphenyl)methoxy]-2-phenyl-7-prop-2-enyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-7-ol is sourced from PubChem (CID 101345633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).