[(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate

C19H21O6P — CID 15447334

IUPAC[(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate
SMILESCOP(=O)([C@H](OC(C)=O)c1ccccc1)[C@@H](OC(C)=O)c1ccccc1
InChIInChI=1S/C19H21O6P/c1-14(20)24-18(16-10-6-4-7-11-16)26(22,23-3)19(25-15(2)21)17-12-8-5-9-13-17/h4-13,18-19H,1-3H3/t18-,19+,26?
InChIKeyVTOCIRZGEVCMGJ-ULZZTYQWSA-N
MW376.35 g/mol
LogP4.43
Rot. Bonds7

About [(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate

[(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate (PubChem CID 15447334) has the molecular formula C19H21O6P and a molecular weight of 376.35 g/mol. Its IUPAC name is [(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate.

Molecular Properties

Compound Name[(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate
PubChem CID15447334
Molecular FormulaC19H21O6P
Molecular Weight376.35 g/mol
Exact Mass376.11
IUPAC Name[(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate
SMILESCOP(=O)([C@H](OC(C)=O)c1ccccc1)[C@@H](OC(C)=O)c1ccccc1
InChIInChI=1S/C19H21O6P/c1-14(20)24-18(16-10-6-4-7-11-16)26(22,23-3)19(25-15(2)21)17-12-8-5-9-13-17/h4-13,18-19H,1-3H3/t18-,19+,26?
InChIKeyVTOCIRZGEVCMGJ-ULZZTYQWSA-N
XLogP4.43
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[dimethoxyphosphoryl(phenyl)methyl] acetate
CID 10923196
(2-dimethoxyphosphoryl-1-phenylpropyl) acetate
CID 122399816
[(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate
CID 15447341
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
benzhydryl acetate;hydrazine
CID 122610283
methyl 3-acetyloxy-2,3-diphenylpropanoate
CID 23262242
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
methyl (2R,3S)-2-acetyloxy-3-amino-3-phenylpropanoate
CID 66701707
(2-bromo-1,2-diphenylethyl) acetate
CID 13129278
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228

Frequently Asked Questions

What is the IUPAC name of [(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate?
The IUPAC name of [(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate (CID 15447334) is [(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate.
What is the SMILES notation for [(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate?
The canonical SMILES for [(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate is COP(=O)([C@H](OC(C)=O)c1ccccc1)[C@@H](OC(C)=O)c1ccccc1.
What is the InChIKey of [(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate?
The InChIKey is VTOCIRZGEVCMGJ-ULZZTYQWSA-N. The full InChI is InChI=1S/C19H21O6P/c1-14(20)24-18(16-10-6-4-7-11-16)26(22,23-3)19(25-15(2)21)17-12-8-5-9-13-17/h4-13,18-19H,1-3H3/t18-,19+,26?.
What are the key properties of [(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate?
[(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate has a molecular weight of 376.35 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate is sourced from PubChem (CID 15447334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).