(2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one

C30H58O8Si2 — CID 11204203

IUPAC(2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](C[C@H]2OCCCC2=O)O[C@@H]2C[C@H](OC)[C@@H](COC)O[C@@]2(C)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C30H58O8Si2/c1-10-39(11-2,12-3)37-28-25(19-23-22(31)17-16-18-34-23)35-27-20-24(33-9)26(21-32-8)36-30(27,7)29(28)38-40(13-4,14-5)15-6/h23-29H,10-21H2,1-9H3/t23-,24+,25+,26-,27-,28+,29-,30-/m1/s1
InChIKeyROOFSQPPIQXDND-HMNIKNHISA-N
MW602.96 g/mol
LogP5.88
Rot. Bonds15

About (2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one

(2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one (PubChem CID 11204203) has the molecular formula C30H58O8Si2 and a molecular weight of 602.96 g/mol. Its IUPAC name is (2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one.

Molecular Properties

Compound Name(2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one
PubChem CID11204203
Molecular FormulaC30H58O8Si2
Molecular Weight602.96 g/mol
Exact Mass602.37
IUPAC Name(2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](C[C@H]2OCCCC2=O)O[C@@H]2C[C@H](OC)[C@@H](COC)O[C@@]2(C)[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C30H58O8Si2/c1-10-39(11-2,12-3)37-28-25(19-23-22(31)17-16-18-34-23)35-27-20-24(33-9)26(21-32-8)36-30(27,7)29(28)38-40(13-4,14-5)15-6/h23-29H,10-21H2,1-9H3/t23-,24+,25+,26-,27-,28+,29-,30-/m1/s1
InChIKeyROOFSQPPIQXDND-HMNIKNHISA-N
XLogP5.88
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.96
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one with MolForge

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Related Compounds

(2R,4aR,6R,7S,8aS)-2-[[(2S,3R,5S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyloxan-2-yl]methyl]-6,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-b]pyran-3-one
CID 134955103
(4S)-4-[(6S,7S,8aR)-2,2-ditert-butyl-7-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]pentan-2-one
CID 158336389
(1S,3R,8R,10S,14S)-6,6-ditert-butyl-14-methyl-2,5,7,11-tetraoxa-6-silatricyclo[8.4.0.03,8]tetradecan-12-one
CID 158777005
(2R,4aR,8aS)-2-[[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]-4a-methyl-6,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-3-one
CID 11200374
(1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one
CID 11212852
methyl 3-[(2R,3S,4aR,6R,8S,8aR)-3-acetyloxy-2-methyl-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate
CID 11767616
2-[(1S,3R,8S,10R,12S,13R)-6,6-ditert-butyl-13-methyl-13-trimethylsilyloxy-2,5,7,11-tetraoxa-6-silatricyclo[8.4.0.03,8]tetradecan-12-yl]acetaldehyde
CID 46901650
(1S,3R,8S,11R,13S,16S,18R)-6,6,13-trimethyl-16-[2-tri(propan-2-yl)silyloxyethyl]-2,5,7,12,17-pentaoxatetracyclo[9.8.0.03,8.013,18]nonadecan-15-one
CID 101077329
(1R,3S,5R,7S,9R,11S,13R,14R,16R,18S)-7,16-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,14-dihydroxy-3,18-dimethyl-2,8,12,17-tetraoxatetracyclo[9.8.0.03,9.013,18]nonadecane-6,15-dione
CID 101772420
methyl 3-[(2R,3S,4aR,6R,8S,8aS)-2-methyl-3-triethylsilyloxy-8-tri(propan-2-yl)silyloxy-6-[3-tri(propan-2-yl)silyloxypropyl]-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]propanoate
CID 102149616

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one?
The IUPAC name of (2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one (CID 11204203) is (2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one.
What is the SMILES notation for (2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one?
The canonical SMILES for (2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one is CC[Si](CC)(CC)O[C@H]1[C@H](C[C@H]2OCCCC2=O)O[C@@H]2C[C@H](OC)[C@@H](COC)O[C@@]2(C)[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of (2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one?
The InChIKey is ROOFSQPPIQXDND-HMNIKNHISA-N. The full InChI is InChI=1S/C30H58O8Si2/c1-10-39(11-2,12-3)37-28-25(19-23-22(31)17-16-18-34-23)35-27-20-24(33-9)26(21-32-8)36-30(27,7)29(28)38-40(13-4,14-5)15-6/h23-29H,10-21H2,1-9H3/t23-,24+,25+,26-,27-,28+,29-,30-/m1/s1.
What are the key properties of (2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one?
(2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one has a molecular weight of 602.96 g/mol, XLogP of 5.88, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S,3S,4R,4aR,6R,7S,8aR)-7-methoxy-6-(methoxymethyl)-4a-methyl-3,4-bis(triethylsilyloxy)-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-2-yl]methyl]oxan-3-one is sourced from PubChem (CID 11204203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).