(2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol

C24H48O3Sn — CID 11092355

IUPAC(2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol
SMILESCCCC[Sn](/C=C/C[C@H]1O[C@](C)(OC)[C@H](C)[C@@H](O)[C@H]1C)(CCCC)CCCC
InChIInChI=1S/C12H21O3.3C4H9.Sn/c1-6-7-10-8(2)11(13)9(3)12(4,14-5)15-10;3*1-3-4-2;/h1,6,8-11,13H,7H2,2-5H3;3*1,3-4H2,2H3;/t8-,9+,10+,11-,12-;;;;/m0..../s1
InChIKeyMTYMFHSUFFEZLT-ZJVVFBAISA-N
MW503.36 g/mol
LogP6.72
Rot. Bonds13

About (2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol

(2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol (PubChem CID 11092355) has the molecular formula C24H48O3Sn and a molecular weight of 503.36 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol
PubChem CID11092355
Molecular FormulaC24H48O3Sn
Molecular Weight503.36 g/mol
Exact Mass504.26
IUPAC Name(2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol
SMILESCCCC[Sn](/C=C/C[C@H]1O[C@](C)(OC)[C@H](C)[C@@H](O)[C@H]1C)(CCCC)CCCC
InChIInChI=1S/C12H21O3.3C4H9.Sn/c1-6-7-10-8(2)11(13)9(3)12(4,14-5)15-10;3*1-3-4-2;/h1,6,8-11,13H,7H2,2-5H3;3*1,3-4H2,2H3;/t8-,9+,10+,11-,12-;;;;/m0..../s1
InChIKeyMTYMFHSUFFEZLT-ZJVVFBAISA-N
XLogP6.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.36
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol?
The IUPAC name of (2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol (CID 11092355) is (2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol is CCCC[Sn](/C=C/C[C@H]1O[C@](C)(OC)[C@H](C)[C@@H](O)[C@H]1C)(CCCC)CCCC.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol?
The InChIKey is MTYMFHSUFFEZLT-ZJVVFBAISA-N. The full InChI is InChI=1S/C12H21O3.3C4H9.Sn/c1-6-7-10-8(2)11(13)9(3)12(4,14-5)15-10;3*1-3-4-2;/h1,6,8-11,13H,7H2,2-5H3;3*1,3-4H2,2H3;/t8-,9+,10+,11-,12-;;;;/m0..../s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol?
(2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol has a molecular weight of 503.36 g/mol, XLogP of 6.72, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-methoxy-2,3,5-trimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol is sourced from PubChem (CID 11092355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).