[(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate

C36H61N3O14Si2 — CID 132565625

About [(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate

[(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate (PubChem CID 132565625) has the molecular formula C36H61N3O14Si2 and a molecular weight of 816.06 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate
• PubChem CID: 132565625
• Molecular Formula: C36H61N3O14Si2
• Molecular Weight: 816.06 g/mol
• Exact Mass: 815.37
• IUPAC Name: [(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@H](CCC(=O)NC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
• InChI: InChI=1S/C36H61N3O14Si2/c1-20(40)47-19-25-29(48-21(2)41)31(49-22(3)42)28(45)23(50-25)14-15-26(43)37-18-24-30(52-54(10,11)35(4,5)6)32(53-55(12,13)36(7,8)9)33(51-24)39-17-16-27(44)38-34(39)46/h16-17,23-25,28-33,45H,14-15,18-19H2,1-13H3,(H,37,43)(H,38,44,46)/t23-,24-,25-,28+,29-,30-,31-,32-,33-/m1/s1
• InChIKey: XYSUPGHPGCEPOX-SDEPNCEXSA-N
• XLogP: 2.67
• TPSA: 220.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.06
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate (CID 132565625) is [(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](CCC(=O)NC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate?

The InChIKey is XYSUPGHPGCEPOX-SDEPNCEXSA-N. The full InChI is InChI=1S/C36H61N3O14Si2/c1-20(40)47-19-25-29(48-21(2)41)31(49-22(3)42)28(45)23(50-25)14-15-26(43)37-18-24-30(52-54(10,11)35(4,5)6)32(53-55(12,13)36(7,8)9)33(51-24)39-17-16-27(44)38-34(39)46/h16-17,23-25,28-33,45H,14-15,18-19H2,1-13H3,(H,37,43)(H,38,44,46)/t23-,24-,25-,28+,29-,30-,31-,32-,33-/m1/s1.

What are the key properties of [(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate?

[(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate has a molecular weight of 816.06 g/mol, XLogP of 2.67, 14 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5S,6R)-3,4-diacetyloxy-6-[3-[[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methylamino]-3-oxopropyl]-5-hydroxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 132565625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).