[(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane

C40H50O8P2 — CID 10931114

IUPAC[(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane
SMILESCCO[C@]1(C)O[C@@H](CP(c2ccccc2OC)c2ccccc2OC)[C@H](CP(c2ccccc2OC)c2ccccc2OC)O[C@@]1(C)OCC
InChIInChI=1S/C40H50O8P2/c1-9-45-39(3)40(4,46-10-2)48-34(28-50(37-25-17-13-21-31(37)43-7)38-26-18-14-22-32(38)44-8)33(47-39)27-49(35-23-15-11-19-29(35)41-5)36-24-16-12-20-30(36)42-6/h11-26,33-34H,9-10,27-28H2,1-8H3/t33-,34-,39+,40+/m0/s1
InChIKeySDIRIFWDAZRSBI-HVQZGMPCSA-N
MW720.78 g/mol
LogP6.58
Rot. Bonds16

About [(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane

[(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane (PubChem CID 10931114) has the molecular formula C40H50O8P2 and a molecular weight of 720.78 g/mol. Its IUPAC name is [(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane.

Molecular Properties

Compound Name[(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane
PubChem CID10931114
Molecular FormulaC40H50O8P2
Molecular Weight720.78 g/mol
Exact Mass720.30
IUPAC Name[(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane
SMILESCCO[C@]1(C)O[C@@H](CP(c2ccccc2OC)c2ccccc2OC)[C@H](CP(c2ccccc2OC)c2ccccc2OC)O[C@@]1(C)OCC
InChIInChI=1S/C40H50O8P2/c1-9-45-39(3)40(4,46-10-2)48-34(28-50(37-25-17-13-21-31(37)43-7)38-26-18-14-22-32(38)44-8)33(47-39)27-49(35-23-15-11-19-29(35)41-5)36-24-16-12-20-30(36)42-6/h11-26,33-34H,9-10,27-28H2,1-8H3/t33-,34-,39+,40+/m0/s1
InChIKeySDIRIFWDAZRSBI-HVQZGMPCSA-N
XLogP6.58
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.78
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane with MolForge

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Related Compounds

[(2R,3R,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
CID 10507797
[3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
CID 18519085
2-[2-bis(2-methoxyphenyl)phosphanylethyl-(2-methoxyphenyl)phosphanyl]phenol
CID 12057041
lithium bis(2-methoxyphenyl)phosphinite
CID 22052788
(2-methoxyphenyl)-[2-[(2-methoxyphenyl)-methylphosphanyl]ethyl]-phenylphosphane
CID 72586842
2-(3,4-dimethoxy-2,5-dimethylphospholan-1-yl)ethyl-(2-methoxyphenyl)-phenylphosphane
CID 20718100
(4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane
CID 23044751
[2-[bis(2-ethoxyphenyl)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane
CID 102101698
2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
CID 79496366
[2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane
CID 138520904
N-[dimethylamino-(2-methoxyphenyl)phosphanyl]-N-methylmethanamine
CID 11356569
[3-bis(2-methoxyphenyl)phosphanyl-2-phenylmethoxypropyl]-bis(2-methoxyphenyl)phosphane
CID 18929305

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane?
The IUPAC name of [(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane (CID 10931114) is [(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane.
What is the SMILES notation for [(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane?
The canonical SMILES for [(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane is CCO[C@]1(C)O[C@@H](CP(c2ccccc2OC)c2ccccc2OC)[C@H](CP(c2ccccc2OC)c2ccccc2OC)O[C@@]1(C)OCC.
What is the InChIKey of [(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane?
The InChIKey is SDIRIFWDAZRSBI-HVQZGMPCSA-N. The full InChI is InChI=1S/C40H50O8P2/c1-9-45-39(3)40(4,46-10-2)48-34(28-50(37-25-17-13-21-31(37)43-7)38-26-18-14-22-32(38)44-8)33(47-39)27-49(35-23-15-11-19-29(35)41-5)36-24-16-12-20-30(36)42-6/h11-26,33-34H,9-10,27-28H2,1-8H3/t33-,34-,39+,40+/m0/s1.
What are the key properties of [(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane?
[(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane has a molecular weight of 720.78 g/mol, XLogP of 6.58, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R,6R)-3-[bis(2-methoxyphenyl)phosphanylmethyl]-5,6-diethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-bis(2-methoxyphenyl)phosphane is sourced from PubChem (CID 10931114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).