(2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol

C9H16O6S — CID 166449608

IUPAC(2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol
SMILESC=C(C)CS(=O)(=O)C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H16O6S/c1-5(2)4-16(13,14)9-8(12)7(11)6(3-10)15-9/h6-12H,1,3-4H2,2H3/t6-,7-,8-,9?/m1/s1
InChIKeyAPIYFQSRYIVDCZ-BYBOBHAWSA-N
MW252.29 g/mol
LogP-1.58
Rot. Bonds4

About (2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol

(2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol (PubChem CID 166449608) has the molecular formula C9H16O6S and a molecular weight of 252.29 g/mol. Its IUPAC name is (2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol
PubChem CID166449608
Molecular FormulaC9H16O6S
Molecular Weight252.29 g/mol
Exact Mass252.07
IUPAC Name(2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol
SMILESC=C(C)CS(=O)(=O)C1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H16O6S/c1-5(2)4-16(13,14)9-8(12)7(11)6(3-10)15-9/h6-12H,1,3-4H2,2H3/t6-,7-,8-,9?/m1/s1
InChIKeyAPIYFQSRYIVDCZ-BYBOBHAWSA-N
XLogP-1.58
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol (CID 166449608) is (2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol is C=C(C)CS(=O)(=O)C1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol?
The InChIKey is APIYFQSRYIVDCZ-BYBOBHAWSA-N. The full InChI is InChI=1S/C9H16O6S/c1-5(2)4-16(13,14)9-8(12)7(11)6(3-10)15-9/h6-12H,1,3-4H2,2H3/t6-,7-,8-,9?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol?
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol has a molecular weight of 252.29 g/mol, XLogP of -1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(hydroxymethyl)-5-(2-methylprop-2-enylsulfonyl)oxolane-3,4-diol is sourced from PubChem (CID 166449608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).