(3R,3'R) -BABIBOP

CAT: 0127-OR1002147-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1002147-01Size:100 mg

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CAS Number

2214207-73-3

Purity

97%

Smiles

CC(C)(C)[P@@]1C2=C(C3=C([P@@](C(C)(C)C)CO4)C4=CC=C3)C=CC=C2OC1

Chemical Information

(3R,3'R)-3,3'-di-tert-Butyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole

CAS Number	2214207-73-3
PubChem CID	145707300
IUPAC Name	(3R)-3-tert-butyl-4-[(3R)-3-tert-butyl-2H-1,3-benzoxaphosphol-4-yl]-2H-1,3-benzoxaphosphole
Molecular Formula	C22H28O2P2
Molecular Weight	386.4
XLogP	4.3
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	463

SMILES

CC(C)(C)[P@]1COC2=CC=CC(=C21)C3=C4C(=CC=C3)OC[P@@]4C(C)(C)C

InChI

InChI=1S/C22H28O2P2/c1-21(2,3)25-13-23-17-11-7-9-15(19(17)25)16-10-8-12-18-20(16)26(14-24-18)22(4,5)6/h7-12H,13-14H2,1-6H3/t25-,26-/m0/s1

InChIKey

CKHIWGYUNCCXKO-UIOOFZCWSA-N

Chemical Structure

2D Structure

CAS: 2214207-73-3

CID: 145707300

Formula: C22H28O2P2

MW: 386.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	386.4
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	386.15645413
Monoisotopic Mass	386.15645413
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	463
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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