(2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one

C32H48O4Sn — CID 11814134

IUPAC(2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H]1CC(=O)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C20H21O4.3C4H9.Sn/c21-18-11-12-23-19(15-22-13-16-7-3-1-4-8-16)20(18)24-14-17-9-5-2-6-10-17;3*1-3-4-2;/h1-10,12,19-20H,11,13-15H2;3*1,3-4H2,2H3;/t19-,20-;;;;/m1..../s1
InChIKeyUNSSLXYBPBROSK-XQHCZWOQSA-N
MW615.44 g/mol
LogP7.90
Rot. Bonds17

About (2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one

(2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one (PubChem CID 11814134) has the molecular formula C32H48O4Sn and a molecular weight of 615.44 g/mol. Its IUPAC name is (2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one.

Molecular Properties

Compound Name(2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one
PubChem CID11814134
Molecular FormulaC32H48O4Sn
Molecular Weight615.44 g/mol
Exact Mass616.26
IUPAC Name(2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H]1CC(=O)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C20H21O4.3C4H9.Sn/c21-18-11-12-23-19(15-22-13-16-7-3-1-4-8-16)20(18)24-14-17-9-5-2-6-10-17;3*1-3-4-2;/h1-10,12,19-20H,11,13-15H2;3*1,3-4H2,2H3;/t19-,20-;;;;/m1..../s1
InChIKeyUNSSLXYBPBROSK-XQHCZWOQSA-N
XLogP7.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.44
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S,6R)-6-[dimethyl(phenyl)silyl]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one
CID 10928642
(2R,3R,6R)-6-(4-bromophenyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxan-4-one
CID 146166603
(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one
CID 11302737
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3S,6S)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-[[(1S,2R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]oxan-4-one
CID 11124755
(4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10686548
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
(2R,3S,6S)-4-methylidene-6-phenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxane
CID 146166198
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2R,4S,5R,6R)-2-(3-hydroxypentan-3-yl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-one
CID 11092534
(2R,3R,4S,5R,6R)-2-hexadecoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10259591

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one?
The IUPAC name of (2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one (CID 11814134) is (2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one.
What is the SMILES notation for (2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one?
The canonical SMILES for (2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one is CCCC[Sn](CCCC)(CCCC)[C@@H]1CC(=O)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one?
The InChIKey is UNSSLXYBPBROSK-XQHCZWOQSA-N. The full InChI is InChI=1S/C20H21O4.3C4H9.Sn/c21-18-11-12-23-19(15-22-13-16-7-3-1-4-8-16)20(18)24-14-17-9-5-2-6-10-17;3*1-3-4-2;/h1-10,12,19-20H,11,13-15H2;3*1,3-4H2,2H3;/t19-,20-;;;;/m1..../s1.
What are the key properties of (2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one?
(2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one has a molecular weight of 615.44 g/mol, XLogP of 7.90, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-tributylstannyloxan-4-one is sourced from PubChem (CID 11814134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).