CID 9833816
PubChem CID
9833816
Structure
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
1531.1 g/mol
Dates
- Create:2006-10-25
Chemical Structure Depiction
(2S)-2-amino-4-methylselanylbutanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one;[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
InChI=1S/C40H56.C31H52O3.C6H8O6.C5H11NO2S.C5H11NO2Se/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10;1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31;7-1-2(8)5-3(9)4(10)6(11)12-5;2*1-9-3-2-4(6)5(7)8/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3;21-23H,10-20H2,1-9H3;2,5,7-8,10-11H,1H2;2*4H,2-3,6H2,1H3,(H,7,8)/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+;;;;/t;22-,23-,31-;2-,5+;2*4-/m.1000/s1
YZIAPTXRARWQOJ-FMVBHFSWSA-N
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C.CC1=C(C(=C(C2=C1O[C@@](CC2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C)OC(=O)C)C.CSCC[C@H](N)C(=O)O.C[Se]CC[C@H](N)C(=O)O.C(O)[C@H](O)[C@H]1OC(=C(C1=O)O)O
C87H138N2O13SSe
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
1531.1 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
8
Property Name
Hydrogen Bond Acceptor Count
Property Value
16
Property Name
Rotatable Bond Count
Property Value
34
Property Name
Exact Mass
Property Value
1530.90849 g/mol
Property Name
Monoisotopic Mass
Property Value
1530.90849 g/mol
Property Name
Topological Polar Surface Area
Property Value
295A^2
Property Name
Heavy Atom Count
Property Value
104
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
2140
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
7
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
9
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
5
Property Name
Compound Is Canonicalized
Property Value
Yes
CONTENTS