(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol

C37H84O11Si7 — CID 10975018

IUPAC(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol
SMILESC=CCC[C@@]1(O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C37H84O11Si7/c1-23-24-25-36(38)32(46-53(14,15)16)30(27-40-50(5,6)7)42-35(34(36)48-55(20,21)22)44-37(28-41-51(8,9)10)33(47-54(17,18)19)31(45-52(11,12)13)29(43-37)26-39-49(2,3)4/h23,29-35,38H,1,24-28H2,2-22H3/t29-,30-,31-,32-,33+,34+,35-,36-,37+/m1/s1
InChIKeyXWSQTHCVWZOUOW-XCFNARBSSA-N
MW901.67 g/mol
LogP8.96
Rot. Bonds22

About (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol

(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol (PubChem CID 10975018) has the molecular formula C37H84O11Si7 and a molecular weight of 901.67 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol
PubChem CID10975018
Molecular FormulaC37H84O11Si7
Molecular Weight901.67 g/mol
Exact Mass900.44
IUPAC Name(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol
SMILESC=CCC[C@@]1(O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C37H84O11Si7/c1-23-24-25-36(38)32(46-53(14,15)16)30(27-40-50(5,6)7)42-35(34(36)48-55(20,21)22)44-37(28-41-51(8,9)10)33(47-54(17,18)19)31(45-52(11,12)13)29(43-37)26-39-49(2,3)4/h23,29-35,38H,1,24-28H2,2-22H3/t29-,30-,31-,32-,33+,34+,35-,36-,37+/m1/s1
InChIKeyXWSQTHCVWZOUOW-XCFNARBSSA-N
XLogP8.96
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500901.67
LogP ≤ 58.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol?
The IUPAC name of (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol (CID 10975018) is (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol?
The canonical SMILES for (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol is C=CCC[C@@]1(O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H](O[C@]2(CO[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C.
What is the InChIKey of (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol?
The InChIKey is XWSQTHCVWZOUOW-XCFNARBSSA-N. The full InChI is InChI=1S/C37H84O11Si7/c1-23-24-25-36(38)32(46-53(14,15)16)30(27-40-50(5,6)7)42-35(34(36)48-55(20,21)22)44-37(28-41-51(8,9)10)33(47-54(17,18)19)31(45-52(11,12)13)29(43-37)26-39-49(2,3)4/h23,29-35,38H,1,24-28H2,2-22H3/t29-,30-,31-,32-,33+,34+,35-,36-,37+/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol?
(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol has a molecular weight of 901.67 g/mol, XLogP of 8.96, 22 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(trimethylsilyloxy)-2,5-bis(trimethylsilyloxymethyl)oxolan-2-yl]oxy-4-but-3-enyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-4-ol is sourced from PubChem (CID 10975018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).