(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol

C18H42O6Si3 — CID 90401101

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol
SMILESC[Si](C)(C)C[Si](C)(CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[Si](C)(C)C
InChIInChI=1S/C18H42O6Si3/c1-25(2,3)12-27(7,13-26(4,5)6)10-8-9-23-18-17(22)16(21)15(20)14(11-19)24-18/h14-22H,8-13H2,1-7H3/t14-,15-,16+,17-,18-/m1/s1
InChIKeyDZJWTDHIMLRUPH-UYTYNIKBSA-N
MW438.79 g/mol
LogP2.03
Rot. Bonds10

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol (PubChem CID 90401101) has the molecular formula C18H42O6Si3 and a molecular weight of 438.79 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol
PubChem CID90401101
Molecular FormulaC18H42O6Si3
Molecular Weight438.79 g/mol
Exact Mass438.23
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol
SMILESC[Si](C)(C)C[Si](C)(CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[Si](C)(C)C
InChIInChI=1S/C18H42O6Si3/c1-25(2,3)12-27(7,13-26(4,5)6)10-8-9-23-18-17(22)16(21)15(20)14(11-19)24-18/h14-22H,8-13H2,1-7H3/t14-,15-,16+,17-,18-/m1/s1
InChIKeyDZJWTDHIMLRUPH-UYTYNIKBSA-N
XLogP2.03
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.79
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4S,5S,6R)-2-[3-[3-[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl-methyl-[3-[tris[3-[bis[3-[dimethyl-[3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]silyl]propyl]-methylsilyl]propyl]silyl]propyl]silyl]propyl-dimethylsilyl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46217899
(2S,3R,4R,5R,6R)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14393381
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(3-hydroxypropoxy)oxane-3,4,5-triol
CID 70273203
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-6-propoxyoxane-3,4,5-triol
CID 67412488
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(3-hydroxypropoxy)oxane-3,4,5-triol
CID 53469479
(3S,4R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
CID 24802436
(2S,3R,4S,5R,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11854119
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-nonoxyoxane-3,4,5-triol
CID 67410580
(3R,4S,5R,6R)-2-decoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 22879297
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-octadecoxyoxane-3,4,5-triol
CID 54350959
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
CID 67412174
(3R,4R,5R,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 12986433

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol (CID 90401101) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol is C[Si](C)(C)C[Si](C)(CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[Si](C)(C)C.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol?
The InChIKey is DZJWTDHIMLRUPH-UYTYNIKBSA-N. The full InChI is InChI=1S/C18H42O6Si3/c1-25(2,3)12-27(7,13-26(4,5)6)10-8-9-23-18-17(22)16(21)15(20)14(11-19)24-18/h14-22H,8-13H2,1-7H3/t14-,15-,16+,17-,18-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol has a molecular weight of 438.79 g/mol, XLogP of 2.03, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilylmethyl)silyl]propoxy]oxane-3,4,5-triol is sourced from PubChem (CID 90401101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).