(+-)-1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate

C20H13O4PCAS 35193-63-6348.29 g/mol

Open in Covalent MOL file
OPHOOO
Phosphate

Properties

Molecular formula
C20H13O4P
Molar mass
348.29 g/mol
Exact mass
348.0551 Da
Melting point
above 180 °C
logP
5.53Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
35193-63-6
SMILES
O=P1(O)Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1
InChIKey
JEHUZVBIUCAMRZ-UHFFFAOYSA-N
InChI
InChI=1S/C20H13O4P/c21-25(22)23-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)24-25/h1-12H,(H,21,22)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • (±)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate
  • Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 4-hydroxy-, 4-oxide
  • rac-1,1′-Binaphthalene-2,2′-diyl phosphoric acid
  • 1,1′-Binaphthalene-2,2′-diyl hydrogen phosphate
  • 13-Hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.0[2,11].0[3,8].0[18,23]]tricosa-1(15),2,4,6,8,10,16,18(23),19,21-decaen-13-one
  • BNDHP
  • 1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate
  • (RS)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate
  • (±)-1,1′-Dinaphthyl-2,2′-diyl hydrogen phosphate
  • (RS)-1,1′-Bi-2-naphthol-2,2′-diyl hydrogen phosphate
  • NSC 244999

Work with (+-)-1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate35193-64-7 (-)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate39648-67-4

Similar compounds

2,2'-Dimethoxy-1,1'-binaphthyl35294-28-149 % similar (S)-(-)-2,2'-Dimethoxy-1,1'-binaphthalene75640-87-849 % similar (R)-(+)-2,2'-Dimethoxy-1,1'-binaphthyl75685-01-749 % similar 1-Naphthyl phosphate1136-89-647 % similar Diphenyl phosphate838-85-747 % similar 2,2′-[[1,1′-Binaphthalene]-2,2′-diylbis(oxy)]bis[ethanol]55441-95-746 % similar (R)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthalene173831-50-043 % similar (R)-2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl126613-06-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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