10113249
  -OEChem-04232408492D

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    6.3301   -1.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6401    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081   -1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
10113249

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
387

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4AAMAAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAAABVAAAGAgAAAAACACIEAAyAIAAACCAACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(1S,2S)-2-diphenylphosphanyl-1-methyl-propyl]-diphenyl-phosphane

> <PUBCHEM_IUPAC_CAS_NAME>
[(2S,3S)-3-diphenylphosphinobutan-2-yl]-diphenylphosphine

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>S</I>,3<I>S</I>)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane

> <PUBCHEM_IUPAC_NAME>
[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenyl-phosphane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(1S,2S)-2-diphenylphosphino-1-methyl-propyl]-diphenyl-phosphine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H28P2/c1-23(29(25-15-7-3-8-16-25)26-17-9-4-10-18-26)24(2)30(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-24H,1-2H3/t23-,24-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FWXAUDSWDBGCMN-ZEQRLZLVSA-N

> <PUBCHEM_XLOGP3_AA>
6.7

> <PUBCHEM_EXACT_MASS>
426.16662489

> <PUBCHEM_MOLECULAR_FORMULA>
C28H28P2

> <PUBCHEM_MOLECULAR_WEIGHT>
426.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C(C)P(C1=CC=CC=C1)C2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]([C@H](C)P(C1=CC=CC=C1)C2=CC=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
426.16662489

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
10  18  8
11  19  8
12  20  8
13  21  8
14  22  8
15  23  8
16  24  8
17  25  8
18  26  8
19  27  8
20  28  8
21  29  8
22  30  8
23  27  8
24  28  8
25  29  8
26  30  8
3  5  5
4  6  5
7  11  8
7  15  8
8  12  8
8  16  8
9  13  8
9  17  8

$$$$