(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol

C21H44O7Si — CID 10961103

IUPAC(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol
SMILESCOC[C@@H](C[C@H]1O[C@@](OC)([C@H](O)[C@H](C)O)[C@H](C)[C@@H](O)[C@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O7Si/c1-13-17(11-16(12-25-7)28-29(9,10)20(4,5)6)27-21(26-8,14(2)18(13)23)19(24)15(3)22/h13-19,22-24H,11-12H2,1-10H3/t13-,14+,15-,16+,17+,18-,19+,21+/m0/s1
InChIKeyGBXGOTWQSHSCBK-YJZNOEHWSA-N
MW436.66 g/mol
LogP2.53
Rot. Bonds9

About (1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol

(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol (PubChem CID 10961103) has the molecular formula C21H44O7Si and a molecular weight of 436.66 g/mol. Its IUPAC name is (1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol
PubChem CID10961103
Molecular FormulaC21H44O7Si
Molecular Weight436.66 g/mol
Exact Mass436.29
IUPAC Name(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol
SMILESCOC[C@@H](C[C@H]1O[C@@](OC)([C@H](O)[C@H](C)O)[C@H](C)[C@@H](O)[C@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O7Si/c1-13-17(11-16(12-25-7)28-29(9,10)20(4,5)6)27-21(26-8,14(2)18(13)23)19(24)15(3)22/h13-19,22-24H,11-12H2,1-10H3/t13-,14+,15-,16+,17+,18-,19+,21+/m0/s1
InChIKeyGBXGOTWQSHSCBK-YJZNOEHWSA-N
XLogP2.53
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.66
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol?
The IUPAC name of (1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol (CID 10961103) is (1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol.
What is the SMILES notation for (1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol?
The canonical SMILES for (1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol is COC[C@@H](C[C@H]1O[C@@](OC)([C@H](O)[C@H](C)O)[C@H](C)[C@@H](O)[C@H]1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol?
The InChIKey is GBXGOTWQSHSCBK-YJZNOEHWSA-N. The full InChI is InChI=1S/C21H44O7Si/c1-13-17(11-16(12-25-7)28-29(9,10)20(4,5)6)27-21(26-8,14(2)18(13)23)19(24)15(3)22/h13-19,22-24H,11-12H2,1-10H3/t13-,14+,15-,16+,17+,18-,19+,21+/m0/s1.
What are the key properties of (1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol?
(1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol has a molecular weight of 436.66 g/mol, XLogP of 2.53, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(2R,3R,4S,5R,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-4-hydroxy-2-methoxy-3,5-dimethyloxan-2-yl]propane-1,2-diol is sourced from PubChem (CID 10961103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).