methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate

C8H16O7S — CID 89097680

IUPACmethyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate
SMILESCO[C@@H]1O[C@H](CCS(=O)(=O)OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H16O7S/c1-13-8-7(10)6(9)5(15-8)3-4-16(11,12)14-2/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyLBOHWQDQFLYUJF-WCTZXXKLSA-N
MW256.28 g/mol
LogP-1.55
Rot. Bonds5

About methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate

methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate (PubChem CID 89097680) has the molecular formula C8H16O7S and a molecular weight of 256.28 g/mol. Its IUPAC name is methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate.

Molecular Properties

Compound Namemethyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate
PubChem CID89097680
Molecular FormulaC8H16O7S
Molecular Weight256.28 g/mol
Exact Mass256.06
IUPAC Namemethyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate
SMILESCO[C@@H]1O[C@H](CCS(=O)(=O)OC)[C@@H](O)[C@H]1O
InChIInChI=1S/C8H16O7S/c1-13-8-7(10)6(9)5(15-8)3-4-16(11,12)14-2/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyLBOHWQDQFLYUJF-WCTZXXKLSA-N
XLogP-1.55
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate?
The IUPAC name of methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate (CID 89097680) is methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate.
What is the SMILES notation for methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate?
The canonical SMILES for methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate is CO[C@@H]1O[C@H](CCS(=O)(=O)OC)[C@@H](O)[C@H]1O.
What is the InChIKey of methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate?
The InChIKey is LBOHWQDQFLYUJF-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H16O7S/c1-13-8-7(10)6(9)5(15-8)3-4-16(11,12)14-2/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate?
methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate has a molecular weight of 256.28 g/mol, XLogP of -1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]ethanesulfonate is sourced from PubChem (CID 89097680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).