(2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one

C59H84O11P2 — CID 59814007

About (2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one

(2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one (PubChem CID 59814007) has the molecular formula C59H84O11P2 and a molecular weight of 1031.26 g/mol. Its IUPAC name is (2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one.

Molecular Properties

• Compound Name: (2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one
• PubChem CID: 59814007
• Molecular Formula: C59H84O11P2
• Molecular Weight: 1031.26 g/mol
• Exact Mass: 1030.55
• IUPAC Name: (2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one
• SMILES: C=C1O[C@H]([C@@H](O)COP(C)(=O)OC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)COP(C)(=O)OC[C@@H](O)[C@@H]2OC(=O)C(C)=C2C)C(C)=C1C
• InChI: InChI=1S/C59H84O11P2/c1-42(26-18-28-44(3)30-20-32-46(5)34-22-36-48(7)38-65-71(14,63)67-40-55(60)57-51(10)50(9)54(13)69-57)24-16-17-25-43(2)27-19-29-45(4)31-21-33-47(6)35-23-37-49(8)39-66-72(15,64)68-41-56(61)58-52(11)53(12)59(62)70-58/h16-21,24-33,36-37,55-58,60-61H,13,22-23,34-35,38-41H2,1-12,14-15H3/b17-16+,26-18+,27-19+,30-20+,31-21+,42-24+,43-25+,44-28+,45-29+,46-32+,47-33+,48-36+,49-37+/t55-,56+,57-,58+,71?,72?/m0/s1
• InChIKey: LLJJYVWEIBNDOC-OZESXRMRSA-N
• XLogP: 14.84
• TPSA: 147.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 30
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1031.26
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one?

The IUPAC name of (2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one (CID 59814007) is (2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one.

What is the SMILES notation for (2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one?

The canonical SMILES for (2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one is C=C1O[C@H]([C@@H](O)COP(C)(=O)OC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)COP(C)(=O)OC[C@@H](O)[C@@H]2OC(=O)C(C)=C2C)C(C)=C1C.

What is the InChIKey of (2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one?

The InChIKey is LLJJYVWEIBNDOC-OZESXRMRSA-N. The full InChI is InChI=1S/C59H84O11P2/c1-42(26-18-28-44(3)30-20-32-46(5)34-22-36-48(7)38-65-71(14,63)67-40-55(60)57-51(10)50(9)54(13)69-57)24-16-17-25-43(2)27-19-29-45(4)31-21-33-47(6)35-23-37-49(8)39-66-72(15,64)68-41-56(61)58-52(11)53(12)59(62)70-58/h16-21,24-33,36-37,55-58,60-61H,13,22-23,34-35,38-41H2,1-12,14-15H3/b17-16+,26-18+,27-19+,30-20+,31-21+,42-24+,43-25+,44-28+,45-29+,46-32+,47-33+,48-36+,49-37+/t55-,56+,57-,58+,71?,72?/m0/s1.

What are the key properties of (2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one?

(2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one has a molecular weight of 1031.26 g/mol, XLogP of 14.84, 30 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(1R)-2-[[(2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30E)-32-[[(2S)-2-[(2S)-3,4-dimethyl-5-methylidene-2H-furan-2-yl]-2-hydroxyethoxy]-methylphosphoryl]oxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaenoxy]-methylphosphoryl]oxy-1-hydroxyethyl]-3,4-dimethyl-2H-furan-5-one is sourced from PubChem (CID 59814007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).