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230299-05-5 | 2,2'-Bi-4,6-methano-1,3,2-benzodioxaborole, dodecahydro-3a,3'a,5,5,5',5'-hexamethyl-, (3aS,3'aS,4S,4'S,6S,6'S,7aR,7'aR)-
CAS No: 230299-05-5 Catalog No: AG002LXM MDL No:MFCD27664803
Product Description
Catalog Number:
AG002LXM
Chemical Name:
2,2'-Bi-4,6-methano-1,3,2-benzodioxaborole, dodecahydro-3a,3'a,5,5,5',5'-hexamethyl-, (3aS,3'aS,4S,4'S,6S,6'S,7aR,7'aR)-
CAS Number:
230299-05-5
Molecular Formula:
C20H32B2O4
Molecular Weight:
358.0877
MDL Number:
MFCD27664803
IUPAC Name:
(1S,2S,6R,8S)-2,9,9-trimethyl-4-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
InChI:
InChI=1S/C20H32B2O4/c1-17(2)11-7-13(17)19(5)15(9-11)23-21(25-19)22-24-16-10-12-8-14(18(12,3)4)20(16,6)26-22/h11-16H,7-10H2,1-6H3/t11-,12-,13-,14-,15+,16+,19-,20-/m0/s1
InChI Key:
VNEZFUGEQURPEN-YAEFTDRSSA-N
SMILES:
C[C@@]12OB(O[C@@H]1C[C@@H]1C[C@H]2C1(C)C)B1O[C@H]2[C@](O1)(C)[C@H]1C[C@@H](C2)C1(C)C
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
358.249g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.092g/mol
Monoisotopic Mass:
358.249g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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