{(1S,2S,3S)-2-Methyl-3-[(1E,5E,9E)-2,6,10,14-Tetramethyl-1,5,9,13-Pentadecatetraen-1-Yl]-2-[(3E,7E)-4,8,12-Trimethyl-3,7,11-Tridecatrien-1-Yl]Cyclopropyl}Methyl Trihydrogen Diphosphate
[CAS# 38005-61-7]

Identification

• Name: {(1S,2S,3S)-2-Methyl-3-[(1E,5E,9E)-2,6,10,14-Tetramethyl-1,5,9,13-Pentadecatetraen-1-Yl]-2-[(3E,7E)-4,8,12-Trimethyl-3,7,11-Tridecatrien-1-Yl]Cyclopropyl}Methyl Trihydrogen Diphosphate
• Synonyms: (1S,2S,3S)-prephytoene diphosphate; {(1S,2S,3S)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate; diphosphoric acid, mono[[(1S,2S,3S)-2-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethyl-1,5,9,13-pentadecatetraen-1-yl]-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]cyclopropyl]methyl] ester
• Molecular Formula: C₄₀H₆₈O₇P₂
• Molecular Weight: 722.91
• CAS Registry Number: 38005-61-7
• SMILES: CC(=CCCC(=CCCC(=CCCC(=CC1C(C1(C)CCC=C(C)CCC=C(C)CCC=C(C)C)COP(=O)(O)OP(=O)(O)O)C)C)C)C
• InChI: 1S/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40-/m0/s1
• InChIKey: RVCNKTPCHZNAAO-XGYYIUAYSA-N

Properties

• Density: 1.071g/cm³ (Cal.)
• Boiling point: 761.071°C at 760 mmHg (Cal.)
• Flash point: 414.081°C (Cal.)