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

C36H44O6P2 — CID 155415599

IUPAC[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane
SMILESCOc1cc(C[C@@H](COPC)[C@H](COPC)Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1
InChIInChI=1S/C36H44O6P2/c1-37-35-21-29(15-17-33(35)39-23-27-11-7-5-8-12-27)19-31(25-41-43-3)32(26-42-44-4)20-30-16-18-34(36(22-30)38-2)40-24-28-13-9-6-10-14-28/h5-18,21-22,31-32,43-44H,19-20,23-26H2,1-4H3/t31-,32-/m0/s1
InChIKeyBDNMGUNDRURYQP-ACHIHNKUSA-N
MW634.69 g/mol
LogP8.36
Rot. Bonds19

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

[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane (PubChem CID 155415599) has the molecular formula C36H44O6P2 and a molecular weight of 634.69 g/mol. Its IUPAC name is [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane.

Molecular Properties

Compound Name[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane
PubChem CID155415599
Molecular FormulaC36H44O6P2
Molecular Weight634.69 g/mol
Exact Mass634.26
IUPAC Name[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane
SMILESCOc1cc(C[C@@H](COPC)[C@H](COPC)Cc2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1
InChIInChI=1S/C36H44O6P2/c1-37-35-21-29(15-17-33(35)39-23-27-11-7-5-8-12-27)19-31(25-41-43-3)32(26-42-44-4)20-30-16-18-34(36(22-30)38-2)40-24-28-13-9-6-10-14-28/h5-18,21-22,31-32,43-44H,19-20,23-26H2,1-4H3/t31-,32-/m0/s1
InChIKeyBDNMGUNDRURYQP-ACHIHNKUSA-N
XLogP8.36
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.69
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phosphanyloxybutoxy]-methylphosphane
CID 155415594
4-(2,2-dimethoxy-2-tritioethyl)-2-methoxy-1-phenylmethoxybenzene
CID 10780824
4-[(2R,3R)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-methylphosphanyloxy-2-(methylphosphanyloxymethyl)butyl]-2-methoxyphenol
CID 155415603
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-phenylmethoxybenzene
CID 22875802
3-chloro-4-(3-methoxy-4-phenylmethoxyphenyl)butan-2-one
CID 82185007
2-methoxy-4-(2-methoxyethyl)-1-phenylmethoxybenzene
CID 135032978
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine
CID 131667709
3-methoxy-4-phenylmethoxyaniline
CID 27226
bis[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenoxy] carbonate
CID 90151087

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane?
The IUPAC name of [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane (CID 155415599) is [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane.
What is the SMILES notation for [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane?
The canonical SMILES for [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane is COc1cc(C[C@@H](COPC)[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-methylphosphanyloxybutoxy]-methylphosphane?
The InChIKey is BDNMGUNDRURYQP-ACHIHNKUSA-N. The full InChI is InChI=1S/C36H44O6P2/c1-37-35-21-29(15-17-33(35)39-23-27-11-7-5-8-12-27)19-31(25-41-43-3)32(26-42-44-4)20-30-16-18-34(36(22-30)38-2)40-24-28-13-9-6-10-14-28/h5-18,21-22,31-32,43-44H,19-20,23-26H2,1-4H3/t31-,32-/m0/s1.
What are the key properties of [(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane?
[(2R,3R)-2,3-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methylphosphanyloxybutoxy]-methylphosphane has a molecular weight of 634.69 g/mol, XLogP of 8.36, 19 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-methylphosphanyloxybutoxy]-methylphosphane is sourced from PubChem (CID 155415599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).