dibenzyl (6-oxooxan-2-yl) phosphate

C19H21O6P — CID 59169033

IUPACdibenzyl (6-oxooxan-2-yl) phosphate
SMILESO=C1CCCC(OP(=O)(OCc2ccccc2)OCc2ccccc2)O1
InChIInChI=1S/C19H21O6P/c20-18-12-7-13-19(24-18)25-26(21,22-14-16-8-3-1-4-9-16)23-15-17-10-5-2-6-11-17/h1-6,8-11,19H,7,12-15H2
InChIKeyJODBRHWKVJSVAU-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.60
Rot. Bonds8

About dibenzyl (6-oxooxan-2-yl) phosphate

dibenzyl (6-oxooxan-2-yl) phosphate (PubChem CID 59169033) has the molecular formula C19H21O6P and a molecular weight of 376.34 g/mol. Its IUPAC name is dibenzyl (6-oxooxan-2-yl) phosphate.

Molecular Properties

Compound Namedibenzyl (6-oxooxan-2-yl) phosphate
PubChem CID59169033
Molecular FormulaC19H21O6P
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Namedibenzyl (6-oxooxan-2-yl) phosphate
SMILESO=C1CCCC(OP(=O)(OCc2ccccc2)OCc2ccccc2)O1
InChIInChI=1S/C19H21O6P/c20-18-12-7-13-19(24-18)25-26(21,22-14-16-8-3-1-4-9-16)23-15-17-10-5-2-6-11-17/h1-6,8-11,19H,7,12-15H2
InChIKeyJODBRHWKVJSVAU-UHFFFAOYSA-N
XLogP4.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.60
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

5-phenylmethoxyoxolan-2-one
CID 67674906
2-adamantyl dibenzyl phosphate
CID 102280168
7-(phenylmethoxymethyl)oxepan-2-one
CID 75080085
dibenzyl [(1R,2S,3R,4S,5S,6R)-2-bis(phenylmethoxy)phosphoryloxy-4,5-dihydroxy-3,6-bis(phenylmethoxy)cyclohexyl] phosphate
CID 10629497
dibenzyl [(1S,2S,3R,4R,5S,6R)-3-[(4-methoxyphenyl)methoxy]-2,4,5,6-tetrakis(phenylmethoxy)cyclohexyl] phosphate
CID 11216804
(5S)-5-[(1R,2R)-2-methyl-1-phenylmethoxybutyl]oxolan-2-one
CID 11139931
dibenzyl [(1R,2R,3S,4R,5R,6R)-3-bis(phenylmethoxy)phosphoryloxy-4-hydroxy-2,5,6-tris(phenylmethoxy)cyclohexyl] phosphate
CID 16744353
dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-4-cyclohexylphenyl] phosphate
CID 86682691
dibenzyl [(1R,3S,4S,6S)-2,3-bis[bis(phenylmethoxy)phosphoryloxy]-5-hydroxy-4,6-bis(phenylmethoxymethoxy)cyclohexyl] phosphate
CID 10418838
benzyl phenyl phosphono phosphate
CID 150753839
(6R,8S)-6-azido-8-(2-phenylmethoxyethyl)oxocan-2-one
CID 102319333
[4-[[(4-acetyloxyphenyl)methoxy-[(1R,2S,3S,4R,5R,6S)-2-[bis[(4-acetyloxyphenyl)methoxy]phosphoryloxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexyl]oxyphosphoryl]oxymethyl]phenyl] acetate
CID 118730689

Frequently Asked Questions

What is the IUPAC name of dibenzyl (6-oxooxan-2-yl) phosphate?
The IUPAC name of dibenzyl (6-oxooxan-2-yl) phosphate (CID 59169033) is dibenzyl (6-oxooxan-2-yl) phosphate.
What is the SMILES notation for dibenzyl (6-oxooxan-2-yl) phosphate?
The canonical SMILES for dibenzyl (6-oxooxan-2-yl) phosphate is O=C1CCCC(OP(=O)(OCc2ccccc2)OCc2ccccc2)O1.
What is the InChIKey of dibenzyl (6-oxooxan-2-yl) phosphate?
The InChIKey is JODBRHWKVJSVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21O6P/c20-18-12-7-13-19(24-18)25-26(21,22-14-16-8-3-1-4-9-16)23-15-17-10-5-2-6-11-17/h1-6,8-11,19H,7,12-15H2.
What are the key properties of dibenzyl (6-oxooxan-2-yl) phosphate?
dibenzyl (6-oxooxan-2-yl) phosphate has a molecular weight of 376.34 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl (6-oxooxan-2-yl) phosphate is sourced from PubChem (CID 59169033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).