methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate

C7H8O7 — CID 125336450

IUPACmethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C7H8O7/c1-13-6(11)4(10)5-2(8)3(9)7(12)14-5/h4-5,8-10H,1H3/t4-,5+/m1/s1
InChIKeyYDPRPKPHLCWZNT-UHNVWZDZSA-N
MW204.13 g/mol
LogP-1.23
Rot. Bonds2

About methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate

methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate (PubChem CID 125336450) has the molecular formula C7H8O7 and a molecular weight of 204.13 g/mol. Its IUPAC name is methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate
PubChem CID125336450
Molecular FormulaC7H8O7
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Namemethyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C7H8O7/c1-13-6(11)4(10)5-2(8)3(9)7(12)14-5/h4-5,8-10H,1H3/t4-,5+/m1/s1
InChIKeyYDPRPKPHLCWZNT-UHNVWZDZSA-N
XLogP-1.23
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate?
The IUPAC name of methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate (CID 125336450) is methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate.
What is the SMILES notation for methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate?
The canonical SMILES for methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate is COC(=O)[C@H](O)[C@H]1OC(=O)C(O)=C1O.
What is the InChIKey of methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate?
The InChIKey is YDPRPKPHLCWZNT-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H8O7/c1-13-6(11)4(10)5-2(8)3(9)7(12)14-5/h4-5,8-10H,1H3/t4-,5+/m1/s1.
What are the key properties of methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate?
methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate has a molecular weight of 204.13 g/mol, XLogP of -1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyacetate is sourced from PubChem (CID 125336450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).