(2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol

C54H65O5PSi2 — CID 10056504

IUPAC(2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
SMILESCc1ccc(P(O[C@H]2[C@H](O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C54H65O5PSi2/c1-39-31-33-49(41(3)35-39)60(50-34-32-40(2)36-42(50)4)59-52-48(38-57-62(54(8,9)10,45-27-19-13-20-28-45)46-29-21-14-22-30-46)58-47(51(52)55)37-56-61(53(5,6)7,43-23-15-11-16-24-43)44-25-17-12-18-26-44/h11-36,47-48,51-52,55H,37-38H2,1-10H3/t47-,48-,51-,52-/m1/s1
InChIKeyZVMGYSVELPXAJP-DXGDSEOKSA-N
MW881.26 g/mol
LogP8.93
Rot. Bonds14

About (2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol

(2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol (PubChem CID 10056504) has the molecular formula C54H65O5PSi2 and a molecular weight of 881.26 g/mol. Its IUPAC name is (2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
PubChem CID10056504
Molecular FormulaC54H65O5PSi2
Molecular Weight881.26 g/mol
Exact Mass880.41
IUPAC Name(2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
SMILESCc1ccc(P(O[C@H]2[C@H](O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C54H65O5PSi2/c1-39-31-33-49(41(3)35-39)60(50-34-32-40(2)36-42(50)4)59-52-48(38-57-62(54(8,9)10,45-27-19-13-20-28-45)46-29-21-14-22-30-46)58-47(51(52)55)37-56-61(53(5,6)7,43-23-15-11-16-24-43)44-25-17-12-18-26-44/h11-36,47-48,51-52,55H,37-38H2,1-10H3/t47-,48-,51-,52-/m1/s1
InChIKeyZVMGYSVELPXAJP-DXGDSEOKSA-N
XLogP8.93
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.26
LogP ≤ 58.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 11059112
(2S,3R,4R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 124925214
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxyoxane-3,4,5-triol
CID 3319542
(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
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-ethoxyoxane-3,4-diol
CID 11683418
(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 99774565
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenoxyoxane-3,4,5-triol
CID 134846505
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
The IUPAC name of (2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol (CID 10056504) is (2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
The canonical SMILES for (2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol is Cc1ccc(P(O[C@H]2[C@H](O)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H]2CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of (2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
The InChIKey is ZVMGYSVELPXAJP-DXGDSEOKSA-N. The full InChI is InChI=1S/C54H65O5PSi2/c1-39-31-33-49(41(3)35-39)60(50-34-32-40(2)36-42(50)4)59-52-48(38-57-62(54(8,9)10,45-27-19-13-20-28-45)46-29-21-14-22-30-46)58-47(51(52)55)37-56-61(53(5,6)7,43-23-15-11-16-24-43)44-25-17-12-18-26-44/h11-36,47-48,51-52,55H,37-38H2,1-10H3/t47-,48-,51-,52-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol?
(2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol has a molecular weight of 881.26 g/mol, XLogP of 8.93, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-4-bis(2,4-dimethylphenyl)phosphanyloxy-2,5-bis[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol is sourced from PubChem (CID 10056504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).