[(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate

C33H48N4O15S — CID 159341641

About [(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate

[(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate (PubChem CID 159341641) has the molecular formula C33H48N4O15S and a molecular weight of 772.83 g/mol. Its IUPAC name is [(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate
• PubChem CID: 159341641
• Molecular Formula: C33H48N4O15S
• Molecular Weight: 772.83 g/mol
• Exact Mass: 772.28
• IUPAC Name: [(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)(C)OC(C)=O)[C@@H]1C.CC(=O)OC[C@H]1O[C@@H](n2c(=O)sc3cnc(N)nc32)[C@H](OC(C)(C)OC(C)=O)[C@@H]1C
• InChI: InChI=1S/C18H24N4O7S.C15H24O8/c1-8-11(7-26-9(2)23)27-15(13(8)29-18(4,5)28-10(3)24)22-14-12(30-17(22)25)6-20-16(19)21-14;1-8-12(7-19-9(2)16)21-14(20-10(3)17)13(8)23-15(5,6)22-11(4)18/h6,8,11,13,15H,7H2,1-5H3,(H2,19,20,21);8,12-14H,7H2,1-6H3/t8-,11-,13-,15-;8-,12-,13-,14-/m11/s1
• InChIKey: LGFGCXFAEICLMD-YGUKAATESA-N
• XLogP: 2.37
• TPSA: 242.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.83
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate?

The IUPAC name of [(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate (CID 159341641) is [(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate.

What is the SMILES notation for [(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate?

The canonical SMILES for [(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)(C)OC(C)=O)[C@@H]1C.CC(=O)OC[C@H]1O[C@@H](n2c(=O)sc3cnc(N)nc32)[C@H](OC(C)(C)OC(C)=O)[C@@H]1C.

What is the InChIKey of [(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate?

The InChIKey is LGFGCXFAEICLMD-YGUKAATESA-N. The full InChI is InChI=1S/C18H24N4O7S.C15H24O8/c1-8-11(7-26-9(2)23)27-15(13(8)29-18(4,5)28-10(3)24)22-14-12(30-17(22)25)6-20-16(19)21-14;1-8-12(7-19-9(2)16)21-14(20-10(3)17)13(8)23-15(5,6)22-11(4)18/h6,8,11,13,15H,7H2,1-5H3,(H2,19,20,21);8,12-14H,7H2,1-6H3/t8-,11-,13-,15-;8-,12-,13-,14-/m11/s1.

What are the key properties of [(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate?

[(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate has a molecular weight of 772.83 g/mol, XLogP of 2.37, 12 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,3R,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl acetate;[(2S,3R,4R,5R)-4-(2-acetyloxypropan-2-yloxy)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-methyloxolan-2-yl]methyl acetate is sourced from PubChem (CID 159341641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).