[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate

C66H94N8O38S2 — CID 159030799

About [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate

[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate (PubChem CID 159030799) has the molecular formula C66H94N8O38S2 and a molecular weight of 1671.63 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate.

Molecular Properties

• Compound Name: [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate
• PubChem CID: 159030799
• Molecular Formula: C66H94N8O38S2
• Molecular Weight: 1671.63 g/mol
• Exact Mass: 1670.51
• IUPAC Name: [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate
• SMILES: CC(=O)OC1O[C@H](COC(=O)OC(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O.CC(C)OC(=O)OC[C@H]1O[C@@H](n2c(=O)sc3cnc(N)nc32)[C@H](O)[C@H]1O.CC(C)OC(=O)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O.CC1(C)O[C@H]2O[C@H](CO)[C@H](O)[C@H]2O1.CCOC(=O)OC[C@H]1O[C@@H](n2c(=O)sc3cnc(N)nc32)[C@H](OC(C)=O)[C@H]1OC(C)=O
• InChI: InChI=1S/C17H20N4O9S.C15H22O10.C14H18N4O7S.C12H20O7.C8H14O5/c1-4-26-17(25)27-6-9-11(28-7(2)22)12(29-8(3)23)14(30-9)21-13-10(31-16(21)24)5-19-15(18)20-13;1-7(2)21-15(19)20-6-11-12(22-8(3)16)13(23-9(4)17)14(25-11)24-10(5)18;1-5(2)24-14(22)23-4-6-8(19)9(20)11(25-6)18-10-7(26-13(18)21)3-16-12(15)17-10;1-6(2)16-11(14)15-5-7-8(13)9-10(17-7)19-12(3,4)18-9;1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h5,9,11-12,14H,4,6H2,1-3H3,(H2,18,19,20);7,11-14H,6H2,1-5H3;3,5-6,8-9,11,19-20H,4H2,1-2H3,(H2,15,16,17);6-10,13H,5H2,1-4H3;4-7,9-10H,3H2,1-2H3/t9-,11+,12-,14-;11-,12+,13-,14?;6-,8+,9-,11-;7-,8+,9-,10-;4-,5+,6-,7-/m11111/s1
• InChIKey: JUVXRTRNXFVUKN-XGWIMBBJSA-N
• XLogP: 0.69
• TPSA: 605.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 48
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1671.63
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate?

The IUPAC name of [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate (CID 159030799) is [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate.

What is the SMILES notation for [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate?

The canonical SMILES for [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate is CC(=O)OC1O[C@H](COC(=O)OC(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O.CC(C)OC(=O)OC[C@H]1O[C@@H](n2c(=O)sc3cnc(N)nc32)[C@H](O)[C@H]1O.CC(C)OC(=O)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O.CC1(C)O[C@H]2O[C@H](CO)[C@H](O)[C@H]2O1.CCOC(=O)OC[C@H]1O[C@@H](n2c(=O)sc3cnc(N)nc32)[C@H](OC(C)=O)[C@H]1OC(C)=O.

What is the InChIKey of [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate?

The InChIKey is JUVXRTRNXFVUKN-XGWIMBBJSA-N. The full InChI is InChI=1S/C17H20N4O9S.C15H22O10.C14H18N4O7S.C12H20O7.C8H14O5/c1-4-26-17(25)27-6-9-11(28-7(2)22)12(29-8(3)23)14(30-9)21-13-10(31-16(21)24)5-19-15(18)20-13;1-7(2)21-15(19)20-6-11-12(22-8(3)16)13(23-9(4)17)14(25-11)24-10(5)18;1-5(2)24-14(22)23-4-6-8(19)9(20)11(25-6)18-10-7(26-13(18)21)3-16-12(15)17-10;1-6(2)16-11(14)15-5-7-8(13)9-10(17-7)19-12(3,4)18-9;1-8(2)12-6-5(10)4(3-9)11-7(6)13-8/h5,9,11-12,14H,4,6H2,1-3H3,(H2,18,19,20);7,11-14H,6H2,1-5H3;3,5-6,8-9,11,19-20H,4H2,1-2H3,(H2,15,16,17);6-10,13H,5H2,1-4H3;4-7,9-10H,3H2,1-2H3/t9-,11+,12-,14-;11-,12+,13-,14?;6-,8+,9-,11-;7-,8+,9-,10-;4-,5+,6-,7-/m11111/s1.

What are the key properties of [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate?

[(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate has a molecular weight of 1671.63 g/mol, XLogP of 0.69, 20 rotatable bonds, 7 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for [(3aR,5R,6S,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl propan-2-yl carbonate;(3aR,5R,6S,6aR)-5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol;[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-2-(ethoxycarbonyloxymethyl)oxolan-3-yl] acetate;[(2R,3R,4R,5R)-5-(5-amino-2-oxo-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl propan-2-yl carbonate;[(2R,3S,4R)-4,5-diacetyloxy-2-(propan-2-yloxycarbonyloxymethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 159030799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).