Name: Name:(11bS)-2，6-Bis[3，5-bis(trifluoromethyl)phenyl]-4-hydroxy-4-oxide-dinaphtho[2，1-d:1'，2'-f][1，3，2]dioxaphosphepin
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SKU: AG00ILUB
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(11bS)-2，6-Bis[3，5-bis(trifluoromethyl)phenyl]-4-hydroxy-4-oxide-dinaphtho[2，1-d:1'，2'-f][1，3，2]dioxaphosphepin

CAS No.:

878111-17-2

Catalog Number:

AG00ILUB

Molecular Formula:

C36H17F12O4P

Molecular Weight:

772.4724

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Product Description

Catalog Number:

AG00ILUB

Chemical Name:

(11bS)-2，6-Bis[3，5-bis(trifluoromethyl)phenyl]-4-hydroxy-4-oxide-dinaphtho[2，1-d:1'，2'-f][1，3，2]dioxaphosphepin

CAS Number:

878111-17-2

Molecular Formula:

C36H17F12O4P

Molecular Weight:

772.4724

MDL Number:

MFCD08689863

IUPAC Name:

10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide

InChI:

InChI=1S/C36H17F12O4P/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)52-53(49,50)51-31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h1-16H,(H,49,50)

InChI Key:

DQORDVSQWPKAQJ-UHFFFAOYSA-N

SMILES:

OP1(=O)Oc2c(cc3c(c2c2c(O1)c(cc1c2cccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)cccc3)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

Properties

Complexity:

1210

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

772.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

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Molecular Weight:

772.483g/mol

Monoisotopic Mass:

772.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

11.6

Literature

Title	Journal
Highly enantioselective trapping of zwitterionic intermediates by imines.	Nature chemistry 20120901

Properties