(2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol

C9H16O4S — CID 162786708

IUPAC(2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol
SMILESC=C(C)CS[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H16O4S/c1-5(2)4-14-9-8(12)7(11)6(10)3-13-9/h6-12H,1,3-4H2,2H3/t6-,7-,8+,9-/m1/s1
InChIKeySJIGFUODSLXLMQ-LURQLKTLSA-N
MW220.29 g/mol
LogP-0.27
Rot. Bonds3

About (2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol

(2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol (PubChem CID 162786708) has the molecular formula C9H16O4S and a molecular weight of 220.29 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol
PubChem CID162786708
Molecular FormulaC9H16O4S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name(2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol
SMILESC=C(C)CS[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H16O4S/c1-5(2)4-14-9-8(12)7(11)6(10)3-13-9/h6-12H,1,3-4H2,2H3/t6-,7-,8+,9-/m1/s1
InChIKeySJIGFUODSLXLMQ-LURQLKTLSA-N
XLogP-0.27
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol (CID 162786708) is (2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol is C=C(C)CS[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol?
The InChIKey is SJIGFUODSLXLMQ-LURQLKTLSA-N. The full InChI is InChI=1S/C9H16O4S/c1-5(2)4-14-9-8(12)7(11)6(10)3-13-9/h6-12H,1,3-4H2,2H3/t6-,7-,8+,9-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol?
(2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol has a molecular weight of 220.29 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol is sourced from PubChem (CID 162786708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).