[(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane

C38H56O8Si — CID 101049958

IUPAC[(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCOCOCC[C@@H]1O[C@H](CC2=CC[C@H]3OCCC[C@@H]3O2)[C@@H](O[Si](C)(C)C(C)(C)C)C(OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C38H56O8Si/c1-38(2,3)47(5,6)46-36-34(24-30-19-20-31-32(44-30)18-13-22-41-31)45-33(21-23-40-27-39-4)35(42-25-28-14-9-7-10-15-28)37(36)43-26-29-16-11-8-12-17-29/h7-12,14-17,19,31-37H,13,18,20-27H2,1-6H3/t31-,32+,33+,34-,35+,36-,37?/m1/s1
InChIKeyMFPBVCFAUVCTQM-IEODMUNKSA-N
MW668.94 g/mol
LogP7.57
Rot. Bonds15

About [(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane

[(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 101049958) has the molecular formula C38H56O8Si and a molecular weight of 668.94 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane
PubChem CID101049958
Molecular FormulaC38H56O8Si
Molecular Weight668.94 g/mol
Exact Mass668.37
IUPAC Name[(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane
SMILESCOCOCC[C@@H]1O[C@H](CC2=CC[C@H]3OCCC[C@@H]3O2)[C@@H](O[Si](C)(C)C(C)(C)C)C(OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C38H56O8Si/c1-38(2,3)47(5,6)46-36-34(24-30-19-20-31-32(44-30)18-13-22-41-31)45-33(21-23-40-27-39-4)35(42-25-28-14-9-7-10-15-28)37(36)43-26-29-16-11-8-12-17-29/h7-12,14-17,19,31-37H,13,18,20-27H2,1-6H3/t31-,32+,33+,34-,35+,36-,37?/m1/s1
InChIKeyMFPBVCFAUVCTQM-IEODMUNKSA-N
XLogP7.57
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.94
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane (CID 101049958) is [(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane is COCOCC[C@@H]1O[C@H](CC2=CC[C@H]3OCCC[C@@H]3O2)[C@@H](O[Si](C)(C)C(C)(C)C)C(OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is MFPBVCFAUVCTQM-IEODMUNKSA-N. The full InChI is InChI=1S/C38H56O8Si/c1-38(2,3)47(5,6)46-36-34(24-30-19-20-31-32(44-30)18-13-22-41-31)45-33(21-23-40-27-39-4)35(42-25-28-14-9-7-10-15-28)37(36)43-26-29-16-11-8-12-17-29/h7-12,14-17,19,31-37H,13,18,20-27H2,1-6H3/t31-,32+,33+,34-,35+,36-,37?/m1/s1.
What are the key properties of [(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 668.94 g/mol, XLogP of 7.57, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S,6S)-2-[[(4aR,8aS)-4,4a,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2-yl]methyl]-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 101049958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).