(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile

C25H43NO5Si2 — CID 10577122

IUPAC(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(O)C#N
InChIInChI=1S/C25H43NO5Si2/c1-23(2,3)32(7,8)29-17-20-25(27,18-26)21(31-33(9,10)24(4,5)6)22(30-20)28-16-19-14-12-11-13-15-19/h11-15,20-22,27H,16-17H2,1-10H3/t20-,21+,22-,25-/m1/s1
InChIKeyPCOXYMRYLMZQQI-WTEVXDJOSA-N
MW493.79 g/mol
LogP5.59
Rot. Bonds8

About (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile

(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile (PubChem CID 10577122) has the molecular formula C25H43NO5Si2 and a molecular weight of 493.79 g/mol. Its IUPAC name is (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile.

Molecular Properties

Compound Name(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile
PubChem CID10577122
Molecular FormulaC25H43NO5Si2
Molecular Weight493.79 g/mol
Exact Mass493.27
IUPAC Name(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(O)C#N
InChIInChI=1S/C25H43NO5Si2/c1-23(2,3)32(7,8)29-17-20-25(27,18-26)21(31-33(9,10)24(4,5)6)22(30-20)28-16-19-14-12-11-13-15-19/h11-15,20-22,27H,16-17H2,1-10H3/t20-,21+,22-,25-/m1/s1
InChIKeyPCOXYMRYLMZQQI-WTEVXDJOSA-N
XLogP5.59
TPSA80.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.79
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
CID 158326767
(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 102125850
(4R,5S,6S,7R,8R,9S)-6-[tert-butyl(dimethyl)silyl]oxy-7,9-dihydroxy-2-oxo-1-phenylmethoxy-5,8-bis(trimethylsilyloxy)-1-azaspiro[3.5]nonane-7-carbonitrile
CID 58668363
tert-butyl-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methoxy]-dimethylsilane
CID 14376888
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol
CID 10261037
(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one
CID 58292531
(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
CID 10616882
tert-butyl-dimethyl-[[(1R,2S,5S,7R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy]silane
CID 11100548
[(3aR,4S,6S,7S,7aS)-4-[[(3aR,4R,6S,7S,7aR)-2,2,6-trimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 24787028
(2S,3R,6R)-2-[2-[[(2S,3R,6R)-2-[[(2S,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxymethyl]-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]oxy]ethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 134880705

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile?
The IUPAC name of (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile (CID 10577122) is (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile.
What is the SMILES notation for (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile?
The canonical SMILES for (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@]1(O)C#N.
What is the InChIKey of (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile?
The InChIKey is PCOXYMRYLMZQQI-WTEVXDJOSA-N. The full InChI is InChI=1S/C25H43NO5Si2/c1-23(2,3)32(7,8)29-17-20-25(27,18-26)21(31-33(9,10)24(4,5)6)22(30-20)28-16-19-14-12-11-13-15-19/h11-15,20-22,27H,16-17H2,1-10H3/t20-,21+,22-,25-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile?
(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile has a molecular weight of 493.79 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-5-phenylmethoxyoxolane-3-carbonitrile is sourced from PubChem (CID 10577122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).