(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol

C10H18O5S — CID 162786761

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol
SMILESC=C(C)CSC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18O5S/c1-5(2)4-16-10-9(14)8(13)7(12)6(3-11)15-10/h6-14H,1,3-4H2,2H3/t6-,7-,8+,9-,10?/m1/s1
InChIKeyBNJJIZKTNAJOKI-ZKZCYXTQSA-N
MW250.32 g/mol
LogP-0.90
Rot. Bonds4

About (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol (PubChem CID 162786761) has the molecular formula C10H18O5S and a molecular weight of 250.32 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol
PubChem CID162786761
Molecular FormulaC10H18O5S
Molecular Weight250.32 g/mol
Exact Mass250.09
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol
SMILESC=C(C)CSC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H18O5S/c1-5(2)4-16-10-9(14)8(13)7(12)6(3-11)15-10/h6-14H,1,3-4H2,2H3/t6-,7-,8+,9-,10?/m1/s1
InChIKeyBNJJIZKTNAJOKI-ZKZCYXTQSA-N
XLogP-0.90
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
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,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol (CID 162786761) is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol is C=C(C)CSC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol?
The InChIKey is BNJJIZKTNAJOKI-ZKZCYXTQSA-N. The full InChI is InChI=1S/C10H18O5S/c1-5(2)4-16-10-9(14)8(13)7(12)6(3-11)15-10/h6-14H,1,3-4H2,2H3/t6-,7-,8+,9-,10?/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol has a molecular weight of 250.32 g/mol, XLogP of -0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2-methylprop-2-enylsulfanyl)oxane-3,4,5-triol is sourced from PubChem (CID 162786761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).