[(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane

C36H42O4P2 — CID 10507797

IUPAC[(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
SMILESCCO[C@]1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O[C@@]1(C)OCC
InChIInChI=1S/C36H42O4P2/c1-5-37-35(3)36(4,38-6-2)40-34(28-42(31-23-15-9-16-24-31)32-25-17-10-18-26-32)33(39-35)27-41(29-19-11-7-12-20-29)30-21-13-8-14-22-30/h7-26,33-34H,5-6,27-28H2,1-4H3/t33-,34-,35+,36+/m0/s1
InChIKeyUIDAXMMSDMAXDO-CLLHQPRTSA-N
MW600.68 g/mol
LogP6.54
Rot. Bonds12

About [(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane

[(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane (PubChem CID 10507797) has the molecular formula C36H42O4P2 and a molecular weight of 600.68 g/mol. Its IUPAC name is [(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
PubChem CID10507797
Molecular FormulaC36H42O4P2
Molecular Weight600.68 g/mol
Exact Mass600.26
IUPAC Name[(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
SMILESCCO[C@]1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O[C@@]1(C)OCC
InChIInChI=1S/C36H42O4P2/c1-5-37-35(3)36(4,38-6-2)40-34(28-42(31-23-15-9-16-24-31)32-25-17-10-18-26-32)33(39-35)27-41(29-19-11-7-12-20-29)30-21-13-8-14-22-30/h7-26,33-34H,5-6,27-28H2,1-4H3/t33-,34-,35+,36+/m0/s1
InChIKeyUIDAXMMSDMAXDO-CLLHQPRTSA-N
XLogP6.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane?
The IUPAC name of [(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane (CID 10507797) is [(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane.
What is the SMILES notation for [(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane?
The canonical SMILES for [(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane is CCO[C@]1(C)O[C@@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O[C@@]1(C)OCC.
What is the InChIKey of [(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane?
The InChIKey is UIDAXMMSDMAXDO-CLLHQPRTSA-N. The full InChI is InChI=1S/C36H42O4P2/c1-5-37-35(3)36(4,38-6-2)40-34(28-42(31-23-15-9-16-24-31)32-25-17-10-18-26-32)33(39-35)27-41(29-19-11-7-12-20-29)30-21-13-8-14-22-30/h7-26,33-34H,5-6,27-28H2,1-4H3/t33-,34-,35+,36+/m0/s1.
What are the key properties of [(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane?
[(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane has a molecular weight of 600.68 g/mol, XLogP of 6.54, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane is sourced from PubChem (CID 10507797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).