(2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol

C8H16O4S — CID 44588422

IUPAC(2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol
SMILESCCCS[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H16O4S/c1-2-3-13-8-7(11)6(10)5(9)4-12-8/h5-11H,2-4H2,1H3/t5-,6+,7-,8+/m1/s1
InChIKeyBFQAMGXXQARPNW-CWKFCGSDSA-N
MW208.28 g/mol
LogP-0.43
Rot. Bonds3

About (2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol

(2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol (PubChem CID 44588422) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol
PubChem CID44588422
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name(2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol
SMILESCCCS[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H16O4S/c1-2-3-13-8-7(11)6(10)5(9)4-12-8/h5-11H,2-4H2,1H3/t5-,6+,7-,8+/m1/s1
InChIKeyBFQAMGXXQARPNW-CWKFCGSDSA-N
XLogP-0.43
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol (CID 44588422) is (2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol is CCCS[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol?
The InChIKey is BFQAMGXXQARPNW-CWKFCGSDSA-N. The full InChI is InChI=1S/C8H16O4S/c1-2-3-13-8-7(11)6(10)5(9)4-12-8/h5-11H,2-4H2,1H3/t5-,6+,7-,8+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol?
(2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol has a molecular weight of 208.28 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-propylsulfanyloxane-3,4,5-triol is sourced from PubChem (CID 44588422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).