(2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one

C12H20O7 — CID 154508740

IUPAC(2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one
SMILESCOC[C@@H](OC)[C@@H](OC)[C@@H]1OC(=O)C(OC)=C1OC
InChIInChI=1S/C12H20O7/c1-14-6-7(15-2)8(16-3)10-9(17-4)11(18-5)12(13)19-10/h7-8,10H,6H2,1-5H3/t7-,8-,10+/m1/s1
InChIKeyXDZSZWYNLADTOP-MRTMQBJTSA-N
MW276.29 g/mol
LogP0.09
Rot. Bonds8

About (2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one

(2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one (PubChem CID 154508740) has the molecular formula C12H20O7 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one
PubChem CID154508740
Molecular FormulaC12H20O7
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC Name(2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one
SMILESCOC[C@@H](OC)[C@@H](OC)[C@@H]1OC(=O)C(OC)=C1OC
InChIInChI=1S/C12H20O7/c1-14-6-7(15-2)8(16-3)10-9(17-4)11(18-5)12(13)19-10/h7-8,10H,6H2,1-5H3/t7-,8-,10+/m1/s1
InChIKeyXDZSZWYNLADTOP-MRTMQBJTSA-N
XLogP0.09
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one?
The IUPAC name of (2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one (CID 154508740) is (2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one?
The canonical SMILES for (2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one is COC[C@@H](OC)[C@@H](OC)[C@@H]1OC(=O)C(OC)=C1OC.
What is the InChIKey of (2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one?
The InChIKey is XDZSZWYNLADTOP-MRTMQBJTSA-N. The full InChI is InChI=1S/C12H20O7/c1-14-6-7(15-2)8(16-3)10-9(17-4)11(18-5)12(13)19-10/h7-8,10H,6H2,1-5H3/t7-,8-,10+/m1/s1.
What are the key properties of (2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one?
(2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one has a molecular weight of 276.29 g/mol, XLogP of 0.09, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,4-dimethoxy-2-[(1R,2R)-1,2,3-trimethoxypropyl]-2H-furan-5-one is sourced from PubChem (CID 154508740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).