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1092064-02-2 | (1S,2S)-2-((4S)-3H-Dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanamine
CAS No: 1092064-02-2 Catalog No: AG003BIX MDL No:
Product Description
Catalog Number:
AG003BIX
Chemical Name:
(1S,2S)-2-((4S)-3H-Dinaphtho[2,1-c:1',2'-e]phosphepin-4(5H)-yl)-1,2-diphenylethanamine
CAS Number:
1092064-02-2
Molecular Formula:
C36H30NP
Molecular Weight:
507.6039
IUPAC Name:
(1S,2S)-1,2-diphenyl-2-(13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)ethanamine
InChI:
InChI=1S/C36H30NP/c37-35(27-13-3-1-4-14-27)36(28-15-5-2-6-16-28)38-23-29-21-19-25-11-7-9-17-31(25)33(29)34-30(24-38)22-20-26-12-8-10-18-32(26)34/h1-22,35-36H,23-24,37H2/t35-,36-/m0/s1
InChI Key:
YHBAPPMVVCHAQC-ZPGRZCPFSA-N
SMILES:
N[C@H]([C@@H](P1Cc2ccc3c(c2c2c(C1)ccc1c2cccc1)cccc3)c1ccccc1)c1ccccc1
Properties
Complexity:
714
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
507.212g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
507.617g/mol
Monoisotopic Mass:
507.212g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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