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

C26H27O5P — CID 100984709

IUPAC(2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCO[C@H]1OC2CO[C@@H](c3ccccc3)OC2[C@@H](O)[C@@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27O5P/c1-28-26-24(32(19-13-7-3-8-14-19)20-15-9-4-10-16-20)22(27)23-21(30-26)17-29-25(31-23)18-11-5-2-6-12-18/h2-16,21-27H,17H2,1H3/t21?,22-,23?,24+,25-,26+/m1/s1
InChIKeyLXVUJESQWFRHKE-FJCUJQDXSA-N
MW450.47 g/mol
LogP3.33
Rot. Bonds5

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

(2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (PubChem CID 100984709) has the molecular formula C26H27O5P and a molecular weight of 450.47 g/mol. Its IUPAC name is (2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.

Molecular Properties

Compound Name(2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
PubChem CID100984709
Molecular FormulaC26H27O5P
Molecular Weight450.47 g/mol
Exact Mass450.16
IUPAC Name(2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCO[C@H]1OC2CO[C@@H](c3ccccc3)OC2[C@@H](O)[C@@H]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27O5P/c1-28-26-24(32(19-13-7-3-8-14-19)20-15-9-4-10-16-20)22(27)23-21(30-26)17-29-25(31-23)18-11-5-2-6-12-18/h2-16,21-27H,17H2,1H3/t21?,22-,23?,24+,25-,26+/m1/s1
InChIKeyLXVUJESQWFRHKE-FJCUJQDXSA-N
XLogP3.33
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

8-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 604263
(6R,8aR)-6-methoxy-7-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 59932091
(2R,4aR,6S,7S,8S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 10468969
(2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 643246
(2R,4aR,6R,7S,8S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 906007
(2S,4aR,6R,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 86316912
(2R,4aR,6S,7S,8S,8aS)-6-methoxy-8-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 101203467
(2S,4aR,6R,7S,8R,8aR)-7-amino-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 124762101
(4aR,7R,8S,8aS)-7-fluoro-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 67156984
(2S,4aS,6R,7S,8S,8aR)-8-amino-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 97042179
(4aR,6S,7S,8R,8aS)-7-ethynyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 101224240
(2R,4aR,6S,7S,8S,8aS)-6-methoxy-8-(methylamino)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 14967172

Frequently Asked Questions

What is the IUPAC name of (2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The IUPAC name of (2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (CID 100984709) is (2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.
What is the SMILES notation for (2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The canonical SMILES for (2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is CO[C@H]1OC2CO[C@@H](c3ccccc3)OC2[C@@H](O)[C@@H]1P(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The InChIKey is LXVUJESQWFRHKE-FJCUJQDXSA-N. The full InChI is InChI=1S/C26H27O5P/c1-28-26-24(32(19-13-7-3-8-14-19)20-15-9-4-10-16-20)22(27)23-21(30-26)17-29-25(31-23)18-11-5-2-6-12-18/h2-16,21-27H,17H2,1H3/t21?,22-,23?,24+,25-,26+/m1/s1.
What are the key properties of (2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
(2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol has a molecular weight of 450.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,7S,8R)-7-diphenylphosphanyl-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is sourced from PubChem (CID 100984709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).