Solanesyl phosphate structure

Solanesyl phosphate

[(1E,5E,9E,13E,17E,21E,25E,29E)-1-azaniumyl-1-hydroxy-2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaen-3-yl]azanium;bis(dihydrogen phosphate)

Also Known As: Solanesyl phosphate|[(1E,5E,9E,13E,17E,21E,25E,29E)-1-azaniumyl-1-hydroxy-2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaen-3-yl]azanium;dihydrogen phosphate|[(1E,5E,9E,13E,17E,21E,25E,29E)-1-azaniumyl-1-hydroxy-2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaen-3-yl]azanium; dihydrogen phosphate|1,5,9,13,17,21,25,29,33-Pentatriacontanonaen-1-ol, 2,6,10,14,18,22,26,30,34-nonamethyl-, dihydrogen phosphate, diammonium salt

CAS: 98229-45-9
Molecular Formula C44H80N2O9P2
Molecular Weight 842.53394 g/mol
LogP 8.9489
Topological Polar Surface Area 236.69 Ų
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 5
Rotatable Bonds 24
Exact Mass 842.53394
Monoisotopic Mass 842.53394
Heavy Atoms 57
Complexity 1476.5615

Chemical Identifiers

CAS Number 98229-45-9
SMILES CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC(/C(=C(\[NH3+])/O)/C)[NH3+])/C)/C)/C)/C)/C)/C)/C)C.OP(=O)(O)[O-].OP(=O)(O)[O-]

Product Overview

Solanesyl phosphate (CAS 98229-45-9), with molecular formula C44H80N2O9P2 and molecular weight 842.53394 g/mol. IUPAC: [(1E,5E,9E,13E,17E,21E,25E,29E)-1-azaniumyl-1-hydroxy-2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaen-3-yl]azanium;bis(dihydrogen phosphate).

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