(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate

C30H50O14 — CID 178075852

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate (PubChem CID 178075852) has the molecular formula C30H50O14 and a molecular weight of 634.72 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate.

Molecular Properties

• Compound Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate
• PubChem CID: 178075852
• Molecular Formula: C30H50O14
• Molecular Weight: 634.72 g/mol
• Exact Mass: 634.32
• IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate
• SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@](O)(CO)[C@H]1OC(=O)C(O)=C1O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
• InChI: InChI=1S/C24H42O8.C6H8O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(26)32-24(30,18-25)22-20(27)21(28)23(29)31-22;7-1-2(8)5-3(9)4(10)6(11)12-5/h22,25,27-28,30H,2-18H2,1H3;2,5,7-10H,1H2/t22-,24+;2-,5+/m00/s1
• InChIKey: ZIJXBXPTWFQILL-MMMCRAICSA-N
• XLogP: 3.32
• TPSA: 240.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	634.72
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate?

The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate (CID 178075852) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate.

What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate?

The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate is CCCCCCCCCCCCCCCCCC(=O)O[C@](O)(CO)[C@H]1OC(=O)C(O)=C1O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.

What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate?

The InChIKey is ZIJXBXPTWFQILL-MMMCRAICSA-N. The full InChI is InChI=1S/C24H42O8.C6H8O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(26)32-24(30,18-25)22-20(27)21(28)23(29)31-22;7-1-2(8)5-3(9)4(10)6(11)12-5/h22,25,27-28,30H,2-18H2,1H3;2,5,7-10H,1H2/t22-,24+;2-,5+/m00/s1.

What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate?

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate has a molecular weight of 634.72 g/mol, XLogP of 3.32, 21 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;[(1R)-1-[(2S)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-1,2-dihydroxyethyl] octadecanoate is sourced from PubChem (CID 178075852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).