7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

C33H44O10Si — CID 85384658

IUPAC7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
SMILESCC[Si](CC)(CC)OC1C=COC(COCc2ccccc2)C1OC1OC(COCc2ccccc2)C2OC(=O)OC2C1O
InChIInChI=1S/C33H44O10Si/c1-4-44(5-2,6-3)43-25-17-18-38-26(21-36-19-23-13-9-7-10-14-23)29(25)40-32-28(34)31-30(41-33(35)42-31)27(39-32)22-37-20-24-15-11-8-12-16-24/h7-18,25-32,34H,4-6,19-22H2,1-3H3
InChIKeyDFMAURPXFZKLEE-UHFFFAOYSA-N
MW628.79 g/mol
LogP5.10
Rot. Bonds15

About 7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one

7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one (PubChem CID 85384658) has the molecular formula C33H44O10Si and a molecular weight of 628.79 g/mol. Its IUPAC name is 7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one.

Molecular Properties

Compound Name7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
PubChem CID85384658
Molecular FormulaC33H44O10Si
Molecular Weight628.79 g/mol
Exact Mass628.27
IUPAC Name7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
SMILESCC[Si](CC)(CC)OC1C=COC(COCc2ccccc2)C1OC1OC(COCc2ccccc2)C2OC(=O)OC2C1O
InChIInChI=1S/C33H44O10Si/c1-4-44(5-2,6-3)43-25-17-18-38-26(21-36-19-23-13-9-7-10-14-23)29(25)40-32-28(34)31-30(41-33(35)42-31)27(39-32)22-37-20-24-15-11-8-12-16-24/h7-18,25-32,34H,4-6,19-22H2,1-3H3
InChIKeyDFMAURPXFZKLEE-UHFFFAOYSA-N
XLogP5.10
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.79
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[[(2R,3S,4S)-3-methyl-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-4-yl]oxy]silane
CID 134883116
(2R,4S,5R)-2-[(3S,4R,6S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(3S,4S)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 91546775
(3aS,6R)-6-[[(3R)-3-hydroxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl]oxy]-7-[(2S,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-[tri(propan-2-yl)silyloxymethyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one
CID 54241237
triethyl-[(2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-yl)oxy]silane
CID 59913106
[(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-[[(2R,3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-2-yl]methanol
CID 102122335
(2R,3R,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 2734741
(2R,3S,4S,5R,6R)-4-[(4-methoxyphenyl)methoxy]-3,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[[(2R,3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxane
CID 10605684
(3R,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-ol
CID 58859609
(2R,3R,4R,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 102496220
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6S)-5-(2,2-dimethylpropanoyloxy)-6-[(2R,3R,4S,5R,6S)-5-(2,2-dimethylpropanoyloxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-[[(2R,3S,4R)-4-phenylmethoxy-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]oxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-yl] 2,2-dimethylpropanoate
CID 10820396
(2S,3R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-2,3-dihydrofuran
CID 10780268

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
The IUPAC name of 7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one (CID 85384658) is 7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one.
What is the SMILES notation for 7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
The canonical SMILES for 7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one is CC[Si](CC)(CC)OC1C=COC(COCc2ccccc2)C1OC1OC(COCc2ccccc2)C2OC(=O)OC2C1O.
What is the InChIKey of 7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
The InChIKey is DFMAURPXFZKLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44O10Si/c1-4-44(5-2,6-3)43-25-17-18-38-26(21-36-19-23-13-9-7-10-14-23)29(25)40-32-28(34)31-30(41-33(35)42-31)27(39-32)22-37-20-24-15-11-8-12-16-24/h7-18,25-32,34H,4-6,19-22H2,1-3H3.
What are the key properties of 7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one?
7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one has a molecular weight of 628.79 g/mol, XLogP of 5.10, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-(phenylmethoxymethyl)-6-[[2-(phenylmethoxymethyl)-4-triethylsilyloxy-3,4-dihydro-2H-pyran-3-yl]oxy]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-one is sourced from PubChem (CID 85384658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).