P,P,P′,P′-Tetrakis(phenylmethyl) (diphosphate)

C₂₈H₂₈O₇P₂CAS 990-91-0538.47 g/mol

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Properties

Molecular formula: C₂₈H₂₈O₇P₂
Molar mass: 538.47 g/mol
Exact mass: 538.1310 Da
Melting point: 59–60 °C
logP: 8.09Crippen estimate
Polar surface area: 80.3 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 14

Hazards

Danger

H314 Causes severe skin burns and eye damage96.2% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

990-91-0

SMILES

O=P(OCc1ccccc1)(OCc1ccccc1)OP(=O)(OCc1ccccc1)OCc1ccccc1

InChIKey

NSBNXCZCLRBQTA-UHFFFAOYSA-N

InChI

InChI=1S/C28H28O7P2/c29-36(31-21-25-13-5-1-6-14-25,32-22-26-15-7-2-8-16-26)35-37(30,33-23-27-17-9-3-10-18-27)34-24-28-19-11-4-12-20-28/h1-20H,21-24H2

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Names and synonyms

8 names

Diphosphoric acid, P,P,P′,P′-tetrakis(phenylmethyl) ester
Pyrophosphoric acid, tetrabenzyl ester
Diphosphoric acid, tetrakis(phenylmethyl) ester
Benzyl pyrophosphate ([(C7H7O)2PO]2O)
Tetrabenzyl pyrophosphate
Tetrabenzyl diphosphate
Dibenzyl [[bis-(benzyloxy)phosphoryl]oxy]phosphonate
Diphosphoric acid tetrabenzyl ester

Reactions

TETRABENZYL PYROPHOSPHATE ([Diphosphoric acid, tetrakis(phenylmethyl) ester])product

Work with P,P,P′,P′-Tetrakis(phenylmethyl) (diphosphate)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dibenzyl phosphate1623-08-157 % similar Triphenyl phosphate115-86-646 % similar Tetraethyl pyrophosphate107-49-343 % similar Dibenzyl phosphite17176-77-142 % similar Bis(phenylmethyl) carbonate3459-92-542 % similar Dibenzyl oxalate7579-36-442 % similar Benzyl methyl ether538-86-341 % similar Hydroquinone dibenzyl ether621-91-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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