[(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane

C43H34F4O6P2 — CID 10557218

IUPAC[(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane
SMILESFc1ccc(P(O[C@@H]2[C@@H](OP(c3ccc(F)cc3)c3ccc(F)cc3)[C@H](Oc3ccccc3)O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]23)c2ccc(F)cc2)cc1
InChIInChI=1S/C43H34F4O6P2/c44-29-11-19-34(20-12-29)54(35-21-13-30(45)14-22-35)52-40-39-38(27-48-42(51-39)28-7-3-1-4-8-28)50-43(49-33-9-5-2-6-10-33)41(40)53-55(36-23-15-31(46)16-24-36)37-25-17-32(47)18-26-37/h1-26,38-43H,27H2/t38-,39-,40+,41-,42-,43-/m1/s1
InChIKeyHCAHQIUBXCYWBP-UGZCQEKCSA-N
MW784.68 g/mol
LogP8.33
Rot. Bonds11

About [(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane

[(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane (PubChem CID 10557218) has the molecular formula C43H34F4O6P2 and a molecular weight of 784.68 g/mol. Its IUPAC name is [(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane.

Molecular Properties

Compound Name[(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane
PubChem CID10557218
Molecular FormulaC43H34F4O6P2
Molecular Weight784.68 g/mol
Exact Mass784.18
IUPAC Name[(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane
SMILESFc1ccc(P(O[C@@H]2[C@@H](OP(c3ccc(F)cc3)c3ccc(F)cc3)[C@H](Oc3ccccc3)O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]23)c2ccc(F)cc2)cc1
InChIInChI=1S/C43H34F4O6P2/c44-29-11-19-34(20-12-29)54(35-21-13-30(45)14-22-35)52-40-39-38(27-48-42(51-39)28-7-3-1-4-8-28)50-43(49-33-9-5-2-6-10-33)41(40)53-55(36-23-15-31(46)16-24-36)37-25-17-32(47)18-26-37/h1-26,38-43H,27H2/t38-,39-,40+,41-,42-,43-/m1/s1
InChIKeyHCAHQIUBXCYWBP-UGZCQEKCSA-N
XLogP8.33
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.68
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane with MolForge

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Related Compounds

(2R,4aR,6S,7R,8R,8aR)-8-methoxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 101107751
(4aR,6S,7R,8R,8aS)-7-amino-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 11992234
N-(8-hydroxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide
CID 4914413
N-[(2S,4aR,6S,7S,8S,8aR)-8-hydroxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7223160
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
(2R,4aR,6R,7R,8R,8aS)-6-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 11168312
(2S,4aR,6R,7R,8S,8aS)-6,7,8-trimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 92843937
(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,4aS,6R,7S,8S,8aR)-6-(4-nitrophenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 125463250
(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
(4aR,6R,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diamine
CID 44721508

Frequently Asked Questions

What is the IUPAC name of [(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane?
The IUPAC name of [(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane (CID 10557218) is [(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane.
What is the SMILES notation for [(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane?
The canonical SMILES for [(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane is Fc1ccc(P(O[C@@H]2[C@@H](OP(c3ccc(F)cc3)c3ccc(F)cc3)[C@H](Oc3ccccc3)O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]23)c2ccc(F)cc2)cc1.
What is the InChIKey of [(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane?
The InChIKey is HCAHQIUBXCYWBP-UGZCQEKCSA-N. The full InChI is InChI=1S/C43H34F4O6P2/c44-29-11-19-34(20-12-29)54(35-21-13-30(45)14-22-35)52-40-39-38(27-48-42(51-39)28-7-3-1-4-8-28)50-43(49-33-9-5-2-6-10-33)41(40)53-55(36-23-15-31(46)16-24-36)37-25-17-32(47)18-26-37/h1-26,38-43H,27H2/t38-,39-,40+,41-,42-,43-/m1/s1.
What are the key properties of [(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane?
[(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane has a molecular weight of 784.68 g/mol, XLogP of 8.33, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4aR,6S,7R,8S,8aR)-7-bis(4-fluorophenyl)phosphanyloxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-bis(4-fluorophenyl)phosphane is sourced from PubChem (CID 10557218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).