P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester

Catalog Number	ACM1903779123
CAS	1903779-12-3
Synonyms	P,P,P',P'-Tetraethyl P,P'-[(6R,8R,13aS)-7,8-Dihydro-6,8-Dimethyl-6H-Dibenzo[F,H][1,5]Dioxonin-1,13-Diyl]Bis[Phosphonate]
IUPAC Name	3,17-bis(diethoxyphosphoryl)-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene
Molecular Weight	526.50
Molecular Formula	C25H36O8P2
InChI	IVJVWUXBJNXRSO-UHFFFAOYSA-N
InChI Key	InChI=1S/C25H36O8P2/c1-7-28-34(26,29-8-2)22-15-11-13-20-24(22)25-21(33-19(6)17-18(5)32-20)14-12-16-23(25)35(27,30-9-3)31-10-4/h11-16,18-19H,7-10,17H2,1-6H3
Boiling Point	623.1±55.0 °C(Predicted)
Purity	97%
Density	1.22±0.1 g/cm3(Predicted)
Isomeric SMILES	CCOP(=O)(C1=CC=CC2=C1C3=C(C=CC=C3P(=O)(OCC)OCC)OC(CC(O2)C)C)OCC

Q&A

What is the IUPAC name of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester?

The IUPAC name of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester is 3,17-bis(diethoxyphosphoryl)-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene.

What is the molecular formula of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester?

The molecular formula of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester is C25H36O8P2.

What is the exact mass of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester?

The exact mass of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester is 526.18854210.

How many hydrogen bond acceptors are present in P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester?

There are 8 hydrogen bond acceptors present in P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester.

What is the Canonical SMILES representation of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester?

The Canonical SMILES representation of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester is CCOP(=O)(C1=CC=CC2=C1C3=C(C=CC=C3P(=O)(OCC)OCC)OC(CC(O2)C)C)OCC.

What is the Computed Properties XLogP3 value of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester?

The Computed Properties XLogP3 value of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester is 4.2.

How many heavy atoms are present in P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester?

There are 35 heavy atoms present in P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester.

What is the Depositor-Supplied Synonym of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester?

The Depositor-Supplied Synonym of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester is P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester.

What is the molecular weight of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester?

The molecular weight of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester is 526.5 g/mol.

What is the InChIKey of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester?

The InChIKey of P,P'-[(6S,8S,13aR)-7,8-Dihydro-6,8-dimethyl-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl]bis-phosphonic acid, P,P,P',P'-tetraethyl ester is IVJVWUXBJNXRSO-UHFFFAOYSA-N.