dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate

C34H40O10P2 — CID 88543969

IUPACdibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate
SMILESCOCCOC(COP(=O)(OCc1ccccc1)OCc1ccccc1)COP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H40O10P2/c1-37-22-23-38-34(28-43-45(35,39-24-30-14-6-2-7-15-30)40-25-31-16-8-3-9-17-31)29-44-46(36,41-26-32-18-10-4-11-19-32)42-27-33-20-12-5-13-21-33/h2-21,34H,22-29H2,1H3
InChIKeyVAJNXMWFBYMSKS-UHFFFAOYSA-N
MW670.63 g/mol
LogP8.13
Rot. Bonds22

About dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate

dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate (PubChem CID 88543969) has the molecular formula C34H40O10P2 and a molecular weight of 670.63 g/mol. Its IUPAC name is dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate.

Molecular Properties

Compound Namedibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate
PubChem CID88543969
Molecular FormulaC34H40O10P2
Molecular Weight670.63 g/mol
Exact Mass670.21
IUPAC Namedibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate
SMILESCOCCOC(COP(=O)(OCc1ccccc1)OCc1ccccc1)COP(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C34H40O10P2/c1-37-22-23-38-34(28-43-45(35,39-24-30-14-6-2-7-15-30)40-25-31-16-8-3-9-17-31)29-44-46(36,41-26-32-18-10-4-11-19-32)42-27-33-20-12-5-13-21-33/h2-21,34H,22-29H2,1H3
InChIKeyVAJNXMWFBYMSKS-UHFFFAOYSA-N
XLogP8.13
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.63
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

benzyl [(2S)-2,3-dibutoxypropyl] methyl phosphate
CID 129410197
benzyl 2,3-dioctoxypropyl methyl phosphate
CID 10505557
2,3-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxymethylbenzene
CID 139525451
1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate
CID 91289517
dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate
CID 10669267
benzyl bis(2,3-dihydroxypropyl) phosphate
CID 71386404
[(2R)-3-[[3-[[(2R)-2,3-di(tetradecanoyloxy)propoxy]-phenylmethoxyphosphoryl]oxy-2-phenylmethoxypropoxy]-phenylmethoxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
CID 101338660
dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate
CID 11487549
dibenzyl chloromethyl phosphate;ethane
CID 144742868
dibenzyl [(2R,3S)-4-oxo-2,3-bis(phenylmethoxy)butyl] phosphate
CID 10792974
benzyl ethyl methyl phosphate
CID 152677778
[(2S)-3-methoxy-2-octadecoxypropoxy]methylbenzene
CID 167022005

Frequently Asked Questions

What is the IUPAC name of dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate?
The IUPAC name of dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate (CID 88543969) is dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate.
What is the SMILES notation for dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate?
The canonical SMILES for dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate is COCCOC(COP(=O)(OCc1ccccc1)OCc1ccccc1)COP(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate?
The InChIKey is VAJNXMWFBYMSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40O10P2/c1-37-22-23-38-34(28-43-45(35,39-24-30-14-6-2-7-15-30)40-25-31-16-8-3-9-17-31)29-44-46(36,41-26-32-18-10-4-11-19-32)42-27-33-20-12-5-13-21-33/h2-21,34H,22-29H2,1H3.
What are the key properties of dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate?
dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate has a molecular weight of 670.63 g/mol, XLogP of 8.13, 22 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate is sourced from PubChem (CID 88543969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).