(4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione

C10H15NO5S — CID 11173034

IUPAC(4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione
SMILESCC1(C)O[C@H]2O[C@@H]([C@H]3COC(=S)N3)[C@H](O)[C@H]2O1
InChIInChI=1S/C10H15NO5S/c1-10(2)15-7-5(12)6(14-8(7)16-10)4-3-13-9(17)11-4/h4-8,12H,3H2,1-2H3,(H,11,17)/t4-,5+,6+,7-,8-/m1/s1
InChIKeyUHGDJZKZYLCYTO-DWOUCZDBSA-N
MW261.30 g/mol
LogP-0.50
Rot. Bonds1

About (4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione

(4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione (PubChem CID 11173034) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is (4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione.

Molecular Properties

Compound Name(4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione
PubChem CID11173034
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name(4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione
SMILESCC1(C)O[C@H]2O[C@@H]([C@H]3COC(=S)N3)[C@H](O)[C@H]2O1
InChIInChI=1S/C10H15NO5S/c1-10(2)15-7-5(12)6(14-8(7)16-10)4-3-13-9(17)11-4/h4-8,12H,3H2,1-2H3,(H,11,17)/t4-,5+,6+,7-,8-/m1/s1
InChIKeyUHGDJZKZYLCYTO-DWOUCZDBSA-N
XLogP-0.50
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione?
The IUPAC name of (4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione (CID 11173034) is (4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione.
What is the SMILES notation for (4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione?
The canonical SMILES for (4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione is CC1(C)O[C@H]2O[C@@H]([C@H]3COC(=S)N3)[C@H](O)[C@H]2O1.
What is the InChIKey of (4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione?
The InChIKey is UHGDJZKZYLCYTO-DWOUCZDBSA-N. The full InChI is InChI=1S/C10H15NO5S/c1-10(2)15-7-5(12)6(14-8(7)16-10)4-3-13-9(17)11-4/h4-8,12H,3H2,1-2H3,(H,11,17)/t4-,5+,6+,7-,8-/m1/s1.
What are the key properties of (4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione?
(4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione has a molecular weight of 261.30 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3aR,5S,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1,3-oxazolidine-2-thione is sourced from PubChem (CID 11173034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).