methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate

C7H10O5 — CID 14540627

IUPACmethyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate
SMILESCOC(=O)C1=C[C@@H](O)[C@@H](OC)O1
InChIInChI=1S/C7H10O5/c1-10-6(9)5-3-4(8)7(11-2)12-5/h3-4,7-8H,1-2H3/t4-,7+/m1/s1
InChIKeyIWHNZCWOAUDAKB-FBCQKBJTSA-N
MW174.15 g/mol
LogP-0.59
Rot. Bonds2

About methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate

methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate (PubChem CID 14540627) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate
PubChem CID14540627
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Namemethyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate
SMILESCOC(=O)C1=C[C@@H](O)[C@@H](OC)O1
InChIInChI=1S/C7H10O5/c1-10-6(9)5-3-4(8)7(11-2)12-5/h3-4,7-8H,1-2H3/t4-,7+/m1/s1
InChIKeyIWHNZCWOAUDAKB-FBCQKBJTSA-N
XLogP-0.59
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-hydroxy-2H-pyran-6-carboxylate
CID 174562312
methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102492997
[(2R,3R,4S)-2-[(1S,2S)-3-cyano-1,2-dihydroxypropyl]-4-hydroxy-6-methoxycarbonyl-3,4-dihydro-2H-pyran-3-yl]carbamic acid
CID 5273244
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1-[(2S,3S)-3-hydroxy-2-methoxy-3,4-dihydro-2H-pyran-6-yl]propan-1-one
CID 130977901
methyl (2S,3R,4S)-3,4-diacetyloxy-2-[(2S,3R,4R,5S,6S)-2,4,5-triacetyloxy-6-methyloxan-3-yl]oxy-3,4-dihydro-2H-pyran-6-carboxylate
CID 15334883
methyl (2R,3S)-3-phenyl-2-[(E)-prop-1-enyl]-2,3-dihydrofuran-5-carboxylate
CID 101123064
dimethyl 3-benzoxepine-2,4-dicarboxylate
CID 621323
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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate?
The IUPAC name of methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate (CID 14540627) is methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate.
What is the SMILES notation for methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate?
The canonical SMILES for methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate is COC(=O)C1=C[C@@H](O)[C@@H](OC)O1.
What is the InChIKey of methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate?
The InChIKey is IWHNZCWOAUDAKB-FBCQKBJTSA-N. The full InChI is InChI=1S/C7H10O5/c1-10-6(9)5-3-4(8)7(11-2)12-5/h3-4,7-8H,1-2H3/t4-,7+/m1/s1.
What are the key properties of methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate?
methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate has a molecular weight of 174.15 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-hydroxy-2-methoxy-2,3-dihydrofuran-5-carboxylate is sourced from PubChem (CID 14540627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).