(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one

C18H26O13 — CID 160631514

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one (PubChem CID 160631514) has the molecular formula C18H26O13 and a molecular weight of 450.39 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one.

Molecular Properties

• Compound Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one
• PubChem CID: 160631514
• Molecular Formula: C18H26O13
• Molecular Weight: 450.39 g/mol
• Exact Mass: 450.14
• IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one
• SMILES: COCOC1=C(OC)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
• InChI: InChI=1S/C12H18O7.C6H8O6/c1-12(2)17-5-7(19-12)8-9(16-6-14-3)10(15-4)11(13)18-8;7-1-2(8)5-3(9)4(10)6(11)12-5/h7-8H,5-6H2,1-4H3;2,5,7-10H,1H2/t7-,8+;2-,5+/m00/s1
• InChIKey: RHZDGWTZOZFLAU-MMTYKQLFSA-N
• XLogP: -0.87
• TPSA: 179.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.39
LogP ≤ 5	-0.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'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;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one?

The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one (CID 160631514) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one.

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

The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one is COCOC1=C(OC)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1.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;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one?

The InChIKey is RHZDGWTZOZFLAU-MMTYKQLFSA-N. The full InChI is InChI=1S/C12H18O7.C6H8O6/c1-12(2)17-5-7(19-12)8-9(16-6-14-3)10(15-4)11(13)18-8;7-1-2(8)5-3(9)4(10)6(11)12-5/h7-8H,5-6H2,1-4H3;2,5,7-10H,1H2/t7-,8+;2-,5+/m00/s1.

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

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one has a molecular weight of 450.39 g/mol, XLogP of -0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 13 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;(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methoxy-3-(methoxymethoxy)-2H-furan-5-one is sourced from PubChem (CID 160631514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).