[(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane

C62H62O9P2Si2 — CID 23628927

IUPAC[(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](Op2oc3ccccc3c3ccccc3o2)[C@@H]1Op1oc2ccccc2c2ccccc2o1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C62H62O9P2Si2/c1-61(2,3)74(45-27-11-7-12-28-45,46-29-13-8-14-30-46)63-43-57-59(70-72-66-53-39-23-19-35-49(53)50-36-20-24-40-54(50)67-72)60(71-73-68-55-41-25-21-37-51(55)52-38-22-26-42-56(52)69-73)58(65-57)44-64-75(62(4,5)6,47-31-15-9-16-32-47)48-33-17-10-18-34-48/h7-42,57-60H,43-44H2,1-6H3/t57-,58-,59-,60-/m1/s1
InChIKeyKHJPYVBBLLJRII-DPQQKFGISA-N
MW1069.29 g/mol
LogP14.11
Rot. Bonds14

About [(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane

[(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 23628927) has the molecular formula C62H62O9P2Si2 and a molecular weight of 1069.29 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID23628927
Molecular FormulaC62H62O9P2Si2
Molecular Weight1069.29 g/mol
Exact Mass1068.34
IUPAC Name[(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](Op2oc3ccccc3c3ccccc3o2)[C@@H]1Op1oc2ccccc2c2ccccc2o1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C62H62O9P2Si2/c1-61(2,3)74(45-27-11-7-12-28-45,46-29-13-8-14-30-46)63-43-57-59(70-72-66-53-39-23-19-35-49(53)50-36-20-24-40-54(50)67-72)60(71-73-68-55-41-25-21-37-51(55)52-38-22-26-42-56(52)69-73)58(65-57)44-64-75(62(4,5)6,47-31-15-9-16-32-47)48-33-17-10-18-34-48/h7-42,57-60H,43-44H2,1-6H3/t57-,58-,59-,60-/m1/s1
InChIKeyKHJPYVBBLLJRII-DPQQKFGISA-N
XLogP14.11
TPSA98.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.29
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane with MolForge

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Related Compounds

[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
[(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methanol
CID 10981523
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191
tert-butyl-[[(1R,2S,4R,5S)-4-chloro-3-oxabicyclo[3.1.0]hexan-2-yl]methoxy]-diphenylsilane
CID 11101116
(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol
CID 102426988
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodooxan-2-ol
CID 171122436
tert-butyl-diphenyl-[[(2S,3R)-3-[[(2S,3R)-3-undecyloxiran-2-yl]methyl]oxiran-2-yl]methoxy]silane
CID 11145784
tert-butyl-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane
CID 11327994
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-diphenyl-[[(2R)-3-(2-trimethylsilylethynyl)oxiran-2-yl]methoxy]silane
CID 166437595
tert-butyl-[[(3R,4R)-4-methoxyoxolan-3-yl]methoxy]-diphenylsilane
CID 67077747

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane (CID 23628927) is [(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](Op2oc3ccccc3c3ccccc3o2)[C@@H]1Op1oc2ccccc2c2ccccc2o1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is KHJPYVBBLLJRII-DPQQKFGISA-N. The full InChI is InChI=1S/C62H62O9P2Si2/c1-61(2,3)74(45-27-11-7-12-28-45,46-29-13-8-14-30-46)63-43-57-59(70-72-66-53-39-23-19-35-49(53)50-36-20-24-40-54(50)67-72)60(71-73-68-55-41-25-21-37-51(55)52-38-22-26-42-56(52)69-73)58(65-57)44-64-75(62(4,5)6,47-31-15-9-16-32-47)48-33-17-10-18-34-48/h7-42,57-60H,43-44H2,1-6H3/t57-,58-,59-,60-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 1069.29 g/mol, XLogP of 14.11, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3,4-bis(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 23628927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).