(4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol

C26H38O7Si — CID 11071012

IUPAC(4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol
SMILESCOCO[C@H]1CC(O)O[C@H]1[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC
InChIInChI=1S/C26H38O7Si/c1-26(2,3)34(20-12-8-6-9-13-20,21-14-10-7-11-15-21)32-17-23(31-19-29-5)25-22(30-18-28-4)16-24(27)33-25/h6-15,22-25,27H,16-19H2,1-5H3/t22-,23+,24?,25+/m0/s1
InChIKeyHVGDBBMFSPPTBE-VXNFQKBMSA-N
MW490.67 g/mol
LogP2.65
Rot. Bonds12

About (4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol

(4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol (PubChem CID 11071012) has the molecular formula C26H38O7Si and a molecular weight of 490.67 g/mol. Its IUPAC name is (4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol.

Molecular Properties

Compound Name(4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol
PubChem CID11071012
Molecular FormulaC26H38O7Si
Molecular Weight490.67 g/mol
Exact Mass490.24
IUPAC Name(4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol
SMILESCOCO[C@H]1CC(O)O[C@H]1[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC
InChIInChI=1S/C26H38O7Si/c1-26(2,3)34(20-12-8-6-9-13-20,21-14-10-7-11-15-21)32-17-23(31-19-29-5)25-22(30-18-28-4)16-24(27)33-25/h6-15,22-25,27H,16-19H2,1-5H3/t22-,23+,24?,25+/m0/s1
InChIKeyHVGDBBMFSPPTBE-VXNFQKBMSA-N
XLogP2.65
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(methoxymethoxy)cyclohex-2-en-1-ol
CID 15981598
(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
CID 132938512
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 11742663
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl] benzoate
CID 171122774
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxyoxolan-3-yl] 4-methylbenzenesulfonate
CID 171126800
(2S,3S)-N-benzyl-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-imine
CID 72793402
(3aR,5R,6S,6aR)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 102214663

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol?
The IUPAC name of (4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol (CID 11071012) is (4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol.
What is the SMILES notation for (4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol?
The canonical SMILES for (4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol is COCO[C@H]1CC(O)O[C@H]1[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCOC.
What is the InChIKey of (4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol?
The InChIKey is HVGDBBMFSPPTBE-VXNFQKBMSA-N. The full InChI is InChI=1S/C26H38O7Si/c1-26(2,3)34(20-12-8-6-9-13-20,21-14-10-7-11-15-21)32-17-23(31-19-29-5)25-22(30-18-28-4)16-24(27)33-25/h6-15,22-25,27H,16-19H2,1-5H3/t22-,23+,24?,25+/m0/s1.
What are the key properties of (4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol?
(4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol has a molecular weight of 490.67 g/mol, XLogP of 2.65, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(methoxymethoxy)ethyl]-4-(methoxymethoxy)oxolan-2-ol is sourced from PubChem (CID 11071012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).