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

C23H46O3Sn — CID 10951053

IUPAC(2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol
SMILESCCCC[Sn](/C=C/C[C@@H]1C[C@H](O)[C@@H](C)[C@@](C)(OC)O1)(CCCC)CCCC
InChIInChI=1S/C11H19O3.3C4H9.Sn/c1-5-6-9-7-10(12)8(2)11(3,13-4)14-9;3*1-3-4-2;/h1,5,8-10,12H,6-7H2,2-4H3;3*1,3-4H2,2H3;/t8-,9-,10+,11+;;;;/m1..../s1
InChIKeyZKJGORQASBVLDM-WQTUMXAGSA-N
MW489.33 g/mol
LogP6.47
Rot. Bonds13

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

(2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol (PubChem CID 10951053) has the molecular formula C23H46O3Sn and a molecular weight of 489.33 g/mol. Its IUPAC name is (2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol.

Molecular Properties

Compound Name(2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol
PubChem CID10951053
Molecular FormulaC23H46O3Sn
Molecular Weight489.33 g/mol
Exact Mass490.25
IUPAC Name(2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol
SMILESCCCC[Sn](/C=C/C[C@@H]1C[C@H](O)[C@@H](C)[C@@](C)(OC)O1)(CCCC)CCCC
InChIInChI=1S/C11H19O3.3C4H9.Sn/c1-5-6-9-7-10(12)8(2)11(3,13-4)14-9;3*1-3-4-2;/h1,5,8-10,12H,6-7H2,2-4H3;3*1,3-4H2,2H3;/t8-,9-,10+,11+;;;;/m1..../s1
InChIKeyZKJGORQASBVLDM-WQTUMXAGSA-N
XLogP6.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.33
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol?
The IUPAC name of (2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol (CID 10951053) is (2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol.
What is the SMILES notation for (2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol?
The canonical SMILES for (2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol is CCCC[Sn](/C=C/C[C@@H]1C[C@H](O)[C@@H](C)[C@@](C)(OC)O1)(CCCC)CCCC.
What is the InChIKey of (2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol?
The InChIKey is ZKJGORQASBVLDM-WQTUMXAGSA-N. The full InChI is InChI=1S/C11H19O3.3C4H9.Sn/c1-5-6-9-7-10(12)8(2)11(3,13-4)14-9;3*1-3-4-2;/h1,5,8-10,12H,6-7H2,2-4H3;3*1,3-4H2,2H3;/t8-,9-,10+,11+;;;;/m1..../s1.
What are the key properties of (2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol?
(2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol has a molecular weight of 489.33 g/mol, XLogP of 6.47, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6R)-2-methoxy-2,3-dimethyl-6-[(E)-3-tributylstannylprop-2-enyl]oxan-4-ol is sourced from PubChem (CID 10951053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).