[(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate

C38H41O13P — CID 71261946

IUPAC[(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate
SMILESCOc1cccc(COC2=C(OCc3cccc(OC)c3)[C@@H]([C@H](CO)OP(=O)(OCc3cccc(OC)c3)OCc3cccc(OC)c3)OC2=O)c1
InChIInChI=1S/C38H41O13P/c1-42-30-13-5-9-26(17-30)22-46-36-35(50-38(40)37(36)47-23-27-10-6-14-31(18-27)43-2)34(21-39)51-52(41,48-24-28-11-7-15-32(19-28)44-3)49-25-29-12-8-16-33(20-29)45-4/h5-20,34-35,39H,21-25H2,1-4H3/t34-,35+/m0/s1
InChIKeyAAEXKINNVVNEHL-OIDHKYIRSA-N
MW736.71 g/mol
LogP6.51
Rot. Bonds20

About [(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate

[(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate (PubChem CID 71261946) has the molecular formula C38H41O13P and a molecular weight of 736.71 g/mol. Its IUPAC name is [(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate.

Molecular Properties

Compound Name[(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate
PubChem CID71261946
Molecular FormulaC38H41O13P
Molecular Weight736.71 g/mol
Exact Mass736.23
IUPAC Name[(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate
SMILESCOc1cccc(COC2=C(OCc3cccc(OC)c3)[C@@H]([C@H](CO)OP(=O)(OCc3cccc(OC)c3)OCc3cccc(OC)c3)OC2=O)c1
InChIInChI=1S/C38H41O13P/c1-42-30-13-5-9-26(17-30)22-46-36-35(50-38(40)37(36)47-23-27-10-6-14-31(18-27)43-2)34(21-39)51-52(41,48-24-28-11-7-15-32(19-28)44-3)49-25-29-12-8-16-33(20-29)45-4/h5-20,34-35,39H,21-25H2,1-4H3/t34-,35+/m0/s1
InChIKeyAAEXKINNVVNEHL-OIDHKYIRSA-N
XLogP6.51
TPSA146.67 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500736.71
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze [(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate 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

dibenzyl [1-[3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] phosphate
CID 78056592
dibenzyl [(1S)-1-[(2R)-3,4-bis[(3-nitrophenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] phosphate
CID 71609408
[1-[3,4-bis[(2-fluorophenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(2-fluorophenyl)methyl] phosphate
CID 78056531
(3-methoxyphenyl)methyl phosphono hydrogen phosphate
CID 151235649
(3-methoxyphenyl)(113C)methanol
CID 11593446
lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate
CID 140684014
3-[4-[(3-methoxyphenyl)methoxy]phenyl]-5-[1-(methylamino)ethyl]-1,3-oxazolidin-2-one
CID 14155048
[2-(3-methoxyphenyl)-1-phosphonoethyl]phosphonic acid
CID 167673236
methyl 7-[(3-methoxyphenyl)methoxy]-2-oxochromene-3-carboxylate
CID 121297931
2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one
CID 134874113
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate?
The IUPAC name of [(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate (CID 71261946) is [(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate.
What is the SMILES notation for [(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate?
The canonical SMILES for [(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate is COc1cccc(COC2=C(OCc3cccc(OC)c3)[C@@H]([C@H](CO)OP(=O)(OCc3cccc(OC)c3)OCc3cccc(OC)c3)OC2=O)c1.
What is the InChIKey of [(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate?
The InChIKey is AAEXKINNVVNEHL-OIDHKYIRSA-N. The full InChI is InChI=1S/C38H41O13P/c1-42-30-13-5-9-26(17-30)22-46-36-35(50-38(40)37(36)47-23-27-10-6-14-31(18-27)43-2)34(21-39)51-52(41,48-24-28-11-7-15-32(19-28)44-3)49-25-29-12-8-16-33(20-29)45-4/h5-20,34-35,39H,21-25H2,1-4H3/t34-,35+/m0/s1.
What are the key properties of [(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate?
[(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate has a molecular weight of 736.71 g/mol, XLogP of 6.51, 20 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(2R)-3,4-bis[(3-methoxyphenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(3-methoxyphenyl)methyl] phosphate is sourced from PubChem (CID 71261946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).