[(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one

C43H58N12O15S3 — CID 160810698

About [(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one

[(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one (PubChem CID 160810698) has the molecular formula C43H58N12O15S3 and a molecular weight of 1079.21 g/mol. Its IUPAC name is [(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: [(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
• PubChem CID: 160810698
• Molecular Formula: C43H58N12O15S3
• Molecular Weight: 1079.21 g/mol
• Exact Mass: 1078.33
• IUPAC Name: [(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
• SMILES: CC[C@@H]1[C@@H](CC)OC(OC(C)=O)[C@@H]1OC(C)=O.CC[C@H]1[C@@H](OC(C)=O)[C@H](n2c(=O)sc3cnc(N)nc32)O[C@@H]1CC.Nc1ncc2sc(=O)[nH]c2n1.Nc1ncc2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](CO)[C@H]3O)c2n1
• InChI: InChI=1S/C15H20N4O4S.C12H20O5.C11H14N4O5S.C5H4N4OS/c1-4-8-9(5-2)23-13(11(8)22-7(3)20)19-12-10(24-15(19)21)6-17-14(16)18-12;1-5-9-10(6-2)17-12(16-8(4)14)11(9)15-7(3)13;12-10-13-1-6-8(14-10)15(11(19)21-6)9-7(18)4(2-16)5(3-17)20-9;6-4-7-1-2-3(8-4)9-5(10)11-2/h6,8-9,11,13H,4-5H2,1-3H3,(H2,16,17,18);9-12H,5-6H2,1-4H3;1,4-5,7,9,16-18H,2-3H2,(H2,12,13,14);1H,(H3,6,7,8,9,10)/t8-,9-,11-,13-;9-,10-,11-,12?;4-,5-,7-,9-;/m111./s1
• InChIKey: SEGXIQOOAJAZEA-QXKMZNAESA-N
• XLogP: 1.60
• TPSA: 399.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1079.21
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?

The IUPAC name of [(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one (CID 160810698) is [(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one.

What is the SMILES notation for [(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?

The canonical SMILES for [(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one is CC[C@@H]1[C@@H](CC)OC(OC(C)=O)[C@@H]1OC(C)=O.CC[C@H]1[C@@H](OC(C)=O)[C@H](n2c(=O)sc3cnc(N)nc32)O[C@@H]1CC.Nc1ncc2sc(=O)[nH]c2n1.Nc1ncc2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](CO)[C@H]3O)c2n1.

What is the InChIKey of [(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?

The InChIKey is SEGXIQOOAJAZEA-QXKMZNAESA-N. The full InChI is InChI=1S/C15H20N4O4S.C12H20O5.C11H14N4O5S.C5H4N4OS/c1-4-8-9(5-2)23-13(11(8)22-7(3)20)19-12-10(24-15(19)21)6-17-14(16)18-12;1-5-9-10(6-2)17-12(16-8(4)14)11(9)15-7(3)13;12-10-13-1-6-8(14-10)15(11(19)21-6)9-7(18)4(2-16)5(3-17)20-9;6-4-7-1-2-3(8-4)9-5(10)11-2/h6,8-9,11,13H,4-5H2,1-3H3,(H2,16,17,18);9-12H,5-6H2,1-4H3;1,4-5,7,9,16-18H,2-3H2,(H2,12,13,14);1H,(H3,6,7,8,9,10)/t8-,9-,11-,13-;9-,10-,11-,12?;4-,5-,7-,9-;/m111./s1.

What are the key properties of [(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one?

[(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one has a molecular weight of 1079.21 g/mol, XLogP of 1.60, 11 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R,5R)-2-acetyloxy-4,5-diethyloxolan-3-yl] acetate;5-amino-3-[(2R,3R,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-one;[(2R,3R,4R,5R)-2-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4,5-diethyloxolan-3-yl] acetate;5-amino-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one is sourced from PubChem (CID 160810698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).