[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane

C35H42O6P2 — CID 155415594

IUPAC[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane
SMILESCOc1cc(C[C@@H](COP)[C@H](COPC)Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1
InChIInChI=1S/C35H42O6P2/c1-36-34-20-28(14-16-32(34)38-22-26-10-6-4-7-11-26)18-30(24-40-42)31(25-41-43-3)19-29-15-17-33(35(21-29)37-2)39-23-27-12-8-5-9-13-27/h4-17,20-21,30-31,43H,18-19,22-25,42H2,1-3H3/t30-,31-/m0/s1
InChIKeySDTZGFWKZXDCNX-CONSDPRKSA-N
MW620.66 g/mol
LogP7.93
Rot. Bonds18

About [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane

[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane (PubChem CID 155415594) has the molecular formula C35H42O6P2 and a molecular weight of 620.66 g/mol. Its IUPAC name is [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane.

Molecular Properties

Compound Name[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane
PubChem CID155415594
Molecular FormulaC35H42O6P2
Molecular Weight620.66 g/mol
Exact Mass620.25
IUPAC Name[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane
SMILESCOc1cc(C[C@@H](COP)[C@H](COPC)Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1
InChIInChI=1S/C35H42O6P2/c1-36-34-20-28(14-16-32(34)38-22-26-10-6-4-7-11-26)18-30(24-40-42)31(25-41-43-3)19-29-15-17-33(35(21-29)37-2)39-23-27-12-8-5-9-13-27/h4-17,20-21,30-31,43H,18-19,22-25,42H2,1-3H3/t30-,31-/m0/s1
InChIKeySDTZGFWKZXDCNX-CONSDPRKSA-N
XLogP7.93
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.66
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane?
The IUPAC name of [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane (CID 155415594) is [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane.
What is the SMILES notation for [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane?
The canonical SMILES for [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane is COc1cc(C[C@@H](COP)[C@H](COPC)Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1.
What is the InChIKey of [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane?
The InChIKey is SDTZGFWKZXDCNX-CONSDPRKSA-N. The full InChI is InChI=1S/C35H42O6P2/c1-36-34-20-28(14-16-32(34)38-22-26-10-6-4-7-11-26)18-30(24-40-42)31(25-41-43-3)19-29-15-17-33(35(21-29)37-2)39-23-27-12-8-5-9-13-27/h4-17,20-21,30-31,43H,18-19,22-25,42H2,1-3H3/t30-,31-/m0/s1.
What are the key properties of [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane?
[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane has a molecular weight of 620.66 g/mol, XLogP of 7.93, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane is sourced from PubChem (CID 155415594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).