[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate

C53H88O16Si4 — CID 11858479

About [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate (PubChem CID 11858479) has the molecular formula C53H88O16Si4 and a molecular weight of 1093.61 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate.

Molecular Properties

• Compound Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate
• PubChem CID: 11858479
• Molecular Formula: C53H88O16Si4
• Molecular Weight: 1093.61 g/mol
• Exact Mass: 1092.51
• IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate
• SMILES: CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](c3ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c3)Oc3cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c3[C@@H]2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
• InChI: InChI=1S/C53H88O16Si4/c1-31(54)59-30-41-45(60-32(2)55)47(61-33(3)56)48(62-34(4)57)49(64-41)65-46-43(58)42-39(28-36(66-70(17,18)50(5,6)7)29-40(42)69-73(23,24)53(14,15)16)63-44(46)35-25-26-37(67-71(19,20)51(8,9)10)38(27-35)68-72(21,22)52(11,12)13/h25-29,41,43-49,58H,30H2,1-24H3/t41-,43+,44-,45-,46+,47+,48-,49+/m1/s1
• InChIKey: URACKVIGRDKWJE-GNSBKJDPSA-N
• XLogP: 11.86
• TPSA: 190.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1093.61
LogP ≤ 5	11.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

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,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate?

The IUPAC name of [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate (CID 11858479) is [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate.

What is the SMILES notation for [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate?

The canonical SMILES for [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](c3ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c3)Oc3cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c3[C@@H]2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.

What is the InChIKey of [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate?

The InChIKey is URACKVIGRDKWJE-GNSBKJDPSA-N. The full InChI is InChI=1S/C53H88O16Si4/c1-31(54)59-30-41-45(60-32(2)55)47(61-33(3)56)48(62-34(4)57)49(64-41)65-46-43(58)42-39(28-36(66-70(17,18)50(5,6)7)29-40(42)69-73(23,24)53(14,15)16)63-44(46)35-25-26-37(67-71(19,20)51(8,9)10)38(27-35)68-72(21,22)52(11,12)13/h25-29,41,43-49,58H,30H2,1-24H3/t41-,43+,44-,45-,46+,47+,48-,49+/m1/s1.

What are the key properties of [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate?

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate has a molecular weight of 1093.61 g/mol, XLogP of 11.86, 16 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2R,3S,4S)-2-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 11858479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).