Chemical ID: 4317673

CC1(C2C1CC3(C(C2)C(C(P3(=O)Cc4ccccc4)c5ccccc5)(C)O)C)C
Chemical ID:
4317673
Name [?]:
None
SMILES [?]:
CC1(C2C1CC3(C(C2)C(C(P3(=O)Cc4ccccc4)c5ccccc5)(C)O)C)C
InChi [?]:
InChI=1/C26H33O2P/c1-24(2)20-15-22-25(3,16-21(20)24)29(28,17-18-11-7-5-8-12-18)23(26(22,4)27)19-13-9-6-10-14-19/h5-14,20-23,27H,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,28,26,17,23,16,18,22,24,15,19,21,25,8,5,13,14,20,3,4,7,10,2,6,9,27,12,11/E:(1,2)(7,8)(9,10)(11,12)(13,14)/rA:29cCCCCCCCCCCPOCCCCCCCCCCCCCCOCC/rB:s1;s2;s2s3;s4;s5;s6;s3s7;s7;s9;s6s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s10;s20;d21;s22;d23;d20s24;s9;s9;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H33O2P
All Atoms:29
Heavy Atoms:29
Chiral Atoms:7
ZAP Information [?]
Total:10.3913
Area:567.497
Solvation:-3.79609
Coulombic:-27.3833
Bond Count [?]
All:33
Single:26
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:408.513
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.12
LogP (Chemaxon):2.87

Name Annotations

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Descriptor Annotations

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