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(11aS)-3,7-Bis(3,5-dimethylphenyl)-10,11,12,13-tetrahydro-5-hydroxy-5-oxide-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin, min. 98%

(11aS)-3,7-Bis(3,5-dimethylphenyl)-10,11,12,13-tetrahydro-5-hydroxy-5-oxide-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin, min. 98%

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Catalog Number

ACM1412439827

Product Name

CAS

1412439-82-7

Product Overview

Synonyms

(R)-Xyl-SPA;MFCD29905019;MFCD29905020;CS-0062255;Phosphoric acid 6,6'-bis(3,5-dimethylphenyl)-1,1'-spirobiindan-7,7'-diyl ester;(11aR)-3,7-Bis(3,5-dimethylphenyl)-10,11,12,13-tetrahydro-5-hydroxy-5-oxide-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin;(11aS)-3,7-Bis(3,5-dimethylphenyl)-10,11,12,13-tetrahydro-5-hydroxy-5-oxide-diindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin;1412439-82-7;

IUPAC Name

1,10-bis(3,5-dimethylphenyl)-12-hydroxy-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide;

Molecular Weight

522.581g/mol

Molecular Formula

C33H31O4P;

Canonical SMILES

CC1=CC(=CC(=C1)C2=C3C4=C(CCC45CCC6=C5C(=C(C=C6)C7=CC(=CC(=C7)C)C)OP(=O)(O3)O)C=C2)C;

InChI

InChI=1S/C33H31O4P/c1-19-13-20(2)16-25(15-19)27-7-5-23-9-11-33-12-10-24-6-8-28(26-17-21(3)14-22(4)18-26)32(30(24)33)37-38(34,35)36-31(27)29(23)33/h5-8,13-18H,9-12H2,1-4H3,(H,34,35);

InChI Key

LABIHUYAKNNSLB-UHFFFAOYSA-N;

Complexity

846

Covalently-Bonded Unit Count

Exact Mass

522.196g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

522.196g/mol

Rotatable Bond Count

Topological Polar Surface Area

55.8A^2

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