[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol

About [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol

[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol (PubChem CID 102590856) has the molecular formula C60H92O10Si2 and a molecular weight of 1029.56 g/mol. Its IUPAC name is [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol.

Molecular Properties

Compound Name	[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol
PubChem CID	102590856
Molecular Formula	C60H92O10Si2
Molecular Weight	1029.56 g/mol
Exact Mass	1028.62
IUPAC Name	[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol
SMILES	C=C1C[C@H](CCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C[C@@H]2O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]2CO)O1
InChI	InChI=1S/C60H92O10Si2/c1-41-35-50(68-54(43(41)3)38-55-52(39-61)57(64-12)56(69-55)37-51(70-72(15,16)59(7,8)9)40-66-71(13,14)58(4,5)6)32-33-53-42(2)36-49(67-53)23-20-34-65-60(44-21-18-17-19-22-44,45-24-28-47(62-10)29-25-45)46-26-30-48(63-11)31-27-46/h17-19,21-22,24-31,41,49-57,61H,2-3,20,23,32-40H2,1,4-16H3/t41-,49+,50+,51+,52+,53+,54-,55+,56-,57-/m1/s1
InChIKey	WNDNBNVVGLCPEU-SQBGYGMVSA-N
XLogP	13.22
TPSA	103.30 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	24
Heavy Atoms	72
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.56
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol?

The IUPAC name of [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol (CID 102590856) is [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol.

What is the SMILES notation for [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol?

The canonical SMILES for [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol is C=C1C[C@H](CCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1CC[C@H]1C[C@@H](C)C(=C)[C@@H](C[C@@H]2O[C@H](C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]2CO)O1.

What is the InChIKey of [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol?

The InChIKey is WNDNBNVVGLCPEU-SQBGYGMVSA-N. The full InChI is InChI=1S/C60H92O10Si2/c1-41-35-50(68-54(43(41)3)38-55-52(39-61)57(64-12)56(69-55)37-51(70-72(15,16)59(7,8)9)40-66-71(13,14)58(4,5)6)32-33-53-42(2)36-49(67-53)23-20-34-65-60(44-21-18-17-19-22-44,45-24-28-47(62-10)29-25-45)46-26-30-48(63-11)31-27-46/h17-19,21-22,24-31,41,49-57,61H,2-3,20,23,32-40H2,1,4-16H3/t41-,49+,50+,51+,52+,53+,54-,55+,56-,57-/m1/s1.

What are the key properties of [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol?

Where does this data come from?

All data for [(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-[[(2R,4R,6S)-6-[2-[(2S,5S)-5-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-3-methylideneoxolan-2-yl]ethyl]-4-methyl-3-methylideneoxan-2-yl]methyl]-4-methoxyoxolan-3-yl]methanol is sourced from PubChem (CID 102590856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).