methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate

C7H12O6 — CID 130763840

IUPACmethyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1O[C@@H](OC)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H12O6/c1-11-6(10)5-3(8)4(9)7(12-2)13-5/h3-5,7-9H,1-2H3/t3-,4+,5+,7+/m0/s1
InChIKeyLNXBUAIDQIGIBH-TWLZVZROSA-N
MW192.17 g/mol
LogP-1.75
Rot. Bonds2

About methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate

methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate (PubChem CID 130763840) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate
PubChem CID130763840
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Namemethyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate
SMILESCOC(=O)[C@@H]1O[C@@H](OC)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H12O6/c1-11-6(10)5-3(8)4(9)7(12-2)13-5/h3-5,7-9H,1-2H3/t3-,4+,5+,7+/m0/s1
InChIKeyLNXBUAIDQIGIBH-TWLZVZROSA-N
XLogP-1.75
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate?
The IUPAC name of methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate (CID 130763840) is methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate?
The canonical SMILES for methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate is COC(=O)[C@@H]1O[C@@H](OC)[C@H](O)[C@@H]1O.
What is the InChIKey of methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate?
The InChIKey is LNXBUAIDQIGIBH-TWLZVZROSA-N. The full InChI is InChI=1S/C7H12O6/c1-11-6(10)5-3(8)4(9)7(12-2)13-5/h3-5,7-9H,1-2H3/t3-,4+,5+,7+/m0/s1.
What are the key properties of methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate?
methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate has a molecular weight of 192.17 g/mol, XLogP of -1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolane-2-carboxylate is sourced from PubChem (CID 130763840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).